930984
  -OEChem-05122405092D

 30 32  0     0  0  0  0  0  0999 V2000
    7.2242    1.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    1.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3285    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997    3.5210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  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
 19 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
930984

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
378

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAAABQAAAHgAAAAAADAiBmAAwwIMAAACIAiVSUACCAAAhAgAIiAAAZMgIICLAkZGEIAhghCDIyYcQgMAOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(3-phenylphenyl)pyrrole-2,5-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-(3-phenylphenyl)pyrrole-2,5-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(3-phenylphenyl)pyrrole-2,5-dione

> <PUBCHEM_IUPAC_NAME>
1-(3-phenylphenyl)pyrrole-2,5-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(3-phenylphenyl)pyrrole-2,5-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(3-phenylphenyl)-3-pyrroline-2,5-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11NO2/c18-15-9-10-16(19)17(15)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-11H

> <PUBCHEM_IUPAC_INCHIKEY>
QQAJYNGNBJIZPR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.7

> <PUBCHEM_EXACT_MASS>
249.078978594

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
249.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C(=O)C=CC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C(=O)C=CC3=O

> <PUBCHEM_CACTVS_TPSA>
37.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
249.078978594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  17  8
14  18  8
17  19  8
18  19  8
4  6  8
4  8  8
5  6  8
5  9  8
7  13  8
7  14  8
8  10  8
9  10  8

$$$$