
 BDBM50384442

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.9384    1.5695    1.6742 C   0  0  0  0  0
    1.2483    1.2317    2.8346 C   0  0  0  0  0
    0.0263    0.5625    2.7501 C   0  0  0  0  0
   -0.5214    0.2223    1.5024 C   0  0  0  0  0
   -1.7497   -0.4526    1.4009 C   0  0  0  0  0
   -2.2848   -0.7866    0.1505 C   0  0  0  0  0
   -1.5876   -0.4427   -1.0108 C   0  0  0  0  0
   -0.3655    0.2281   -0.9246 C   0  0  0  0  0
    0.1800    0.5664    0.3235 C   0  0  0  0  0
    1.4081    1.2393    0.4261 C   0  0  0  0  0
   -3.5611   -1.4991    0.0587 C   0  0  0  0  0
   -3.6226   -2.8382    0.0655 C   0  0  0  0  0
   -4.9045   -3.4983   -0.0318 C   0  0  0  0  0
   -6.0595   -2.8101   -0.1282 C   0  0  0  0  0
   -5.9702   -1.3045   -0.1943 C   0  0  0  0  0
   -6.9406   -0.5807   -0.3983 O   0  0  0  0  0
   -4.7112   -0.7640   -0.0598 N   0  0  0  0  0
   -7.3356   -3.4752   -0.2175 C   0  0  0  0  0
   -8.5155   -3.1552    0.3105 C   0  0  0  0  0
   -9.3960   -4.0850   -0.0824 N   0  0  0  0  0
   -8.7382   -5.0123   -0.8525 C   0  0  0  0  0
   -9.2464   -6.0066   -1.3461 O   0  0  0  0  0
   -7.3999   -4.6663   -0.9805 O   0  0  0  0  0
   -8.8672   -2.1500    1.1342 O   0  0  0  0  0
    2.8901    2.0905    1.7390 H   0  0  0  0  0
    1.6604    1.4889    3.8070 H   0  0  0  0  0
   -0.4972    0.3076    3.6690 H   0  0  0  0  0
   -2.2958   -0.7212    2.3034 H   0  0  0  0  0
   -1.9898   -0.6958   -1.9895 H   0  0  0  0  0
    0.1596    0.4846   -1.8422 H   0  0  0  0  0
    1.9627    1.5121   -0.4690 H   0  0  0  0  0
   -2.7319   -3.4541    0.1466 H   0  0  0  0  0
   -4.8964   -4.5846   -0.0024 H   0  0  0  0  0
   -4.6587    0.2462   -0.0996 H   0  0  0  0  0
  -10.3661   -4.1753    0.1672 H   0  0  0  0  0
   -9.8057   -1.9614    0.9772 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 24 36  1  0  0  0
M  END

>  <Chemical Name>
BDBM50384442

>  <PubChem CID>
91929890

>  <Formula>
C18H12N2O4

>  <Molecular Weight>
320.304000

>  <IUPAC Name>
4-hydroxy-5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-3H-1,3-oxazol-2-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C(=O)N3)C4=C(NC(=O)O4)O

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)C3=CC=C(C(=O)N3)C4=C(NC(=O)O4)O

>  <InChI Std. ID>
InChI=1S/C18H12N2O4/c21-16-13(15-17(22)20-18(23)24-15)7-8-14(19-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,22H,(H,19,21)(H,20,23)

>  <InChI Key>
YTISMEVEPKYCLE-UHFFFAOYSA-N

