
 3-hydroxy-4-((E)-{[(5-methoxy-1-methyl-1H-indol-2-yl)carbonyl]hydrazono}methyl)-2-naphthoic acid

 50 53  0  0  0  0  0  0  0  0999 V2000
    6.0524    2.9629   -0.0278 C   0  0  0  0  0
    5.1755    1.8066   -0.0275 N   0  0  0  0  0
    5.6078    0.4931   -0.0519 C   0  0  0  0  0
    4.4692   -0.3084   -0.0817 C   0  0  0  0  0
    4.6157   -1.7093   -0.1234 C   0  0  0  0  0
    5.8936   -2.2783   -0.1525 C   0  0  0  0  0
    7.0191   -1.4614   -0.0978 C   0  0  0  0  0
    6.8967   -0.0664   -0.0488 C   0  0  0  0  0
    5.9148   -3.6470   -0.2015 O   0  0  0  0  0
    7.0860   -4.2249   -0.7675 C   0  0  0  0  0
    3.3447    0.5575   -0.0585 C   0  0  0  0  0
    3.7859    1.8732   -0.0129 C   0  0  0  0  0
    3.0245    3.1201    0.0407 C   0  0  0  0  0
    3.5672    4.2228    0.0991 O   0  0  0  0  0
    1.6423    2.9695    0.0292 N   0  0  0  0  0
    0.8441    4.0755    0.0735 N   0  0  0  0  0
   -0.4329    3.8680    0.1009 C   0  0  0  0  0
   -1.4429    4.9660    0.1472 C   0  0  0  0  0
   -2.7743    4.5904   -0.1310 C   0  0  0  0  0
   -3.7957    5.5500   -0.1342 C   0  0  0  0  0
   -3.4881    6.8834    0.1438 C   0  0  0  0  0
   -2.1770    7.2814    0.4343 C   0  0  0  0  0
   -1.9308    8.6368    0.7154 C   0  0  0  0  0
   -0.6519    9.0899    1.0219 C   0  0  0  0  0
    0.3979    8.1885    1.0543 C   0  0  0  0  0
    0.1669    6.8377    0.7757 C   0  0  0  0  0
   -1.1203    6.3312    0.4479 C   0  0  0  0  0
   -5.1878    5.1464   -0.4342 C   0  0  0  0  0
   -5.5258    4.0017   -0.6856 O   0  0  0  0  0
   -6.0710    6.1561   -0.4085 O   0  0  0  0  0
   -3.0401    3.2668   -0.4073 O   0  0  0  0  0
    7.0958    2.6531   -0.1012 H   0  0  0  0  0
    5.9066    3.5081    0.9079 H   0  0  0  0  0
    5.8114    3.5813   -0.8963 H   0  0  0  0  0
    3.7397   -2.3507   -0.1474 H   0  0  0  0  0
    8.0200   -1.8806   -0.0765 H   0  0  0  0  0
    7.7881    0.5507   -0.0050 H   0  0  0  0  0
    6.8936   -5.2921   -0.9139 H   0  0  0  0  0
    7.9400   -4.1326   -0.0893 H   0  0  0  0  0
    7.3112   -3.7887   -1.7471 H   0  0  0  0  0
    2.3167    0.2232   -0.0693 H   0  0  0  0  0
    1.2174    2.0541   -0.0074 H   0  0  0  0  0
   -0.8191    2.8338    0.0777 H   0  0  0  0  0
   -4.2823    7.6290    0.1386 H   0  0  0  0  0
   -2.7428    9.3620    0.6996 H   0  0  0  0  0
   -0.4777   10.1406    1.2360 H   0  0  0  0  0
    1.4044    8.5230    1.2938 H   0  0  0  0  0
    1.0365    6.1867    0.8252 H   0  0  0  0  0
   -6.9358    5.7471   -0.6243 H   0  0  0  0  0
   -3.9995    3.1510   -0.5909 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 11  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 27  1  0  0  0
 19 20  1  0  0  0
 19 31  1  0  0  0
 20 21  2  0  0  0
 20 28  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30 49  1  0  0  0
 31 50  1  0  0  0
M  END

>  <Chemical Name>
3-hydroxy-4-((E)-{[(5-methoxy-1-methyl-1H-indol-2-yl)carbonyl]hydrazono}methyl)-2-naphthoic acid

>  <PubChem CID>
135616999

>  <Formula>
C23H19N3O5

>  <Molecular Weight>
417.421000

>  <IUPAC Name>
3-hydroxy-4-[(E)-[(5-methoxy-1-methylindole-2-carbonyl)hydrazinylidene]methyl]naphthalene-2-carboxylic acid

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NN=CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O

>  <Isomeric SMILES>
CN1C2=C(C=C(C=C2)OC)C=C1C(=O)N/N=C/C3=C(C(=CC4=CC=CC=C43)C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C23H19N3O5/c1-26-19-8-7-15(31-2)9-14(19)11-20(26)22(28)25-24-12-18-16-6-4-3-5-13(16)10-17(21(18)27)23(29)30/h3-12,27H,1-2H3,(H,25,28)(H,29,30)/b24-12+

>  <InChI Key>
GBLPGGPIXKBWGV-WYMPLXKRSA-N

