66761464
  -OEChem-04252416582D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000    2.7650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.1470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5577   -1.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0957   -1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1469   -2.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0974   -2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.0776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -0.6099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.8790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    3.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963   -1.5430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977   -2.3727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7124   -1.5181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2236   -0.8477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9564   -3.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997   -2.8179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66761464

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
416

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWIAAAAwAAAAAAAAAFgBAAAAHgIAAAAADArBmCQwwIMAAACIAiVSUACCAAAhBwAIiAGIZogIYDLBl7GUIAhghgDIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-1-[2-(2,5-dihydropyrrol-1-yl)-2-oxo-ethyl]indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-1-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-3H-indol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-1-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-3<I>H</I>-indol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-1-[2-(2,5-dihydropyrrol-1-yl)-2-oxoethyl]-3H-indol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-1-[2-(2,5-dihydropyrrol-1-yl)-2-oxidanylidene-ethyl]-3H-indol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-1-[2-keto-2-(3-pyrrolin-1-yl)ethyl]oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13ClN2O2/c15-11-3-4-12-10(7-11)8-13(18)17(12)9-14(19)16-5-1-2-6-16/h1-4,7H,5-6,8-9H2

> <PUBCHEM_IUPAC_INCHIKEY>
HNYNQTVEVFCBPP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
276.0665554

> <PUBCHEM_MOLECULAR_FORMULA>
C14H13ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
276.72

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=CCN1C(=O)CN2C(=O)CC3=C2C=CC(=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=CCN1C(=O)CN2C(=O)CC3=C2C=CC(=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
40.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.0665554

> <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>
14  18  8
15  19  8
18  19  8
6  14  8
6  8  8
8  15  8

$$$$