11459678
  -OEChem-05092405062D

 30 32  0     0  0  0  0  0  0999 V2000
    2.5381    0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9343    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3083    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8003   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5323   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0682   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4712    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3154    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2634   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6663   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 30  1  0  0  0  0
  2 19  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4 20  3  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 20  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 18  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11459678

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
598

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAQCAAADAyBmAAwxoLAAgCYBqRSQACiAAAhIgAIiAAGbMgIpiLCkZOEcAhk0BHI2Y+wwLAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
6-hydroxy-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1<I>H</I>-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_NAME>
6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-oxidanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-hydroxy-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,18,20H

> <PUBCHEM_IUPAC_INCHIKEY>
UVUPDUVVQOFBNR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
262.074227566

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
262.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)O)C#N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)O)C#N

> <PUBCHEM_CACTVS_TPSA>
73.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.074227566

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  13  8
13  14  8
5  11  8
5  6  8
6  12  8

$$$$