69451827
  -OEChem-05052416532D

 30 32  0     0  0  0  0  0  0999 V2000
    5.6103    2.5252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601   -0.2458    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9710   -1.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2816   -0.4520    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6353    0.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138    0.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9244    1.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427   -0.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    2.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5311    1.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 22  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  1  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 28  1  0  0  0  0
 17 19  2  0  0  0  0
 17 27  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
69451827

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
474

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgIUAAAADAqBmCAwwILQQACJAiVSUwCCAAAhBwAoiAEAZsoIIDLBl5GEIAhglADIyYcciICOAABAQAADAAAAAICAAAYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-3-[(2-chloro-5-nitro-phenyl)methylene]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-3-[(2-chloro-5-nitrophenyl)methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-3-[(2-chloro-5-nitrophenyl)methylidene]-1<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-3-[(2-chloro-5-nitrophenyl)methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-3-[(2-chloranyl-5-nitro-phenyl)methylidene]-1H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-3-(2-chloro-5-nitro-benzylidene)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H9ClN2O3/c16-13-6-5-10(18(20)21)7-9(13)8-12-11-3-1-2-4-14(11)17-15(12)19/h1-8H,(H,17,19)/b12-8-

> <PUBCHEM_IUPAC_INCHIKEY>
FOMPDYBJDRDXBN-WQLSENKSSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
300.0301698

> <PUBCHEM_MOLECULAR_FORMULA>
C15H9ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
300.69

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C2C(=C1)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C2C(=C1)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C(=O)N2

> <PUBCHEM_CACTVS_TPSA>
74.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.0301698

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
12  17  8
12  18  8
13  15  8
14  16  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8
7  13  8
7  9  8
9  14  8

$$$$