
 CHEMBL2392166

 36 38  0  0  0  0  0  0  0  0999 V2000
   -1.9017   -1.3924    1.4462 C   0  0  0  0  0
   -0.5717   -1.2880    1.8632 C   0  0  0  0  0
    0.2315   -0.2614    1.3507 C   0  0  0  0  0
   -0.2797    0.6391    0.4044 C   0  0  0  0  0
   -1.6121    0.5290   -0.0085 C   0  0  0  0  0
   -2.4339   -0.4714    0.5313 C   0  0  0  0  0
   -3.8819   -0.5818    0.1899 C   0  0  0  0  0
   -4.3916   -1.6950    0.1639 O   0  0  0  0  0
   -4.5249    0.6238   -0.0074 N   0  0  0  0  0
   -5.9074    0.8451   -0.2134 C   0  0  0  0  0
   -6.3272    2.1792   -0.3575 C   0  0  0  0  0
   -7.6777    2.4800   -0.5281 C   0  0  0  0  0
   -8.6326    1.4638   -0.5577 C   0  0  0  0  0
   -8.2169    0.1424   -0.4218 C   0  0  0  0  0
   -6.8641   -0.1723   -0.2552 C   0  0  0  0  0
   -9.3871   -1.1193   -0.4511 Cl  0  0  0  0  0
   -8.0769    3.8872   -0.6739 C   0  0  0  0  0
   -9.2460    4.2203   -0.8121 O   0  0  0  0  0
   -7.0024    4.8881   -0.6500 C   0  0  0  0  0
   -5.7394    4.4762   -0.4812 C   0  0  0  0  0
   -5.3571    3.1558   -0.3209 O   0  0  0  0  0
   -4.6822    5.5144   -0.4649 C   0  0  0  0  0
   -4.8360    6.7142   -0.6004 O   0  0  0  0  0
   -3.4600    4.9825   -0.2745 O   0  0  0  0  0
    1.6163   -0.1166    1.8190 N   0  0  0  0  0
    2.2763    0.8327    1.3730 O   0  0  0  0  0
    2.0369   -0.9431    2.6400 O   0  0  0  0  0
   -2.5316   -2.1839    1.8517 H   0  0  0  0  0
   -0.1868   -2.0024    2.5887 H   0  0  0  0  0
    0.3421    1.4282   -0.0153 H   0  0  0  0  0
   -1.9857    1.2214   -0.7591 H   0  0  0  0  0
   -3.9782    1.4741    0.0817 H   0  0  0  0  0
   -9.6865    1.7020   -0.6839 H   0  0  0  0  0
   -6.5868   -1.2166   -0.1471 H   0  0  0  0  0
   -7.2891    5.9259   -0.7716 H   0  0  0  0  0
   -2.8656    5.7635   -0.2799 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 21  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 34  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 22  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 36  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
M  CHG  2  25   1  27  -1
M  END

>  <Chemical Name>
CHEMBL2392166

>  <PubChem CID>
71733743

>  <Formula>
C17H9ClN2O7

>  <Molecular Weight>
388.716000

>  <IUPAC Name>
6-chloro-8-[(4-nitrobenzoyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O)[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C=C(O3)C(=O)O)[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C17H9ClN2O7/c18-9-5-11-13(21)7-14(17(23)24)27-15(11)12(6-9)19-16(22)8-1-3-10(4-2-8)20(25)26/h1-7H,(H,19,22)(H,23,24)

>  <InChI Key>
HTOZDRBGYCGCQR-UHFFFAOYSA-N

