54691795
  -OEChem-04252401082D

 35 37  0     0  0  0  0  0  0999 V2000
   11.9242    2.2964    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    1.0591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3673   -0.2233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9404    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -2.2452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    1.4715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4404    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    0.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    1.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993    2.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2778    2.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6350    1.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029   -2.8345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8853    3.0898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4639    0.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2458    1.6484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4704    3.4238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0491    0.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 16  1  0  0  0  0
  2 33  1  0  0  0  0
  3 13  2  0  0  0  0
  4 19  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 26  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 30  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 27  1  0  0  0  0
 15 18  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 29  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 31  1  0  0  0  0
 22 24  2  0  0  0  0
 22 32  1  0  0  0  0
 23 25  2  0  0  0  0
 23 34  1  0  0  0  0
 24 25  1  0  0  0  0
 24 35  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
54691795

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
609

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHwAUCAAADAyBmAgwwILQQgCJAiVSUwKCAAAhIgAoiAFAZMoKIDLAlZGEIAhglADYyQcciYCeAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-indolin-3-ylidene)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>)-<I>N</I>-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1<I>H</I>-indol-3-ylidene)acetamide

> <PUBCHEM_IUPAC_NAME>
(2E)-N-(4-fluorophenyl)-2-hydroxy-2-(5-nitro-2-oxo-1H-indol-3-ylidene)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E)-N-(4-fluorophenyl)-2-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)-2-oxidanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E)-N-(4-fluorophenyl)-2-hydroxy-2-(2-keto-5-nitro-indolin-3-ylidene)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H10FN3O5/c17-8-1-3-9(4-2-8)18-16(23)14(21)13-11-7-10(20(24)25)5-6-12(11)19-15(13)22/h1-7,21H,(H,18,23)(H,19,22)/b14-13+

> <PUBCHEM_IUPAC_INCHIKEY>
SLVNMUYCQYJTSF-BUHFOSPRSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
343.06044859

> <PUBCHEM_MOLECULAR_FORMULA>
C16H10FN3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
343.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1NC(=O)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1NC(=O)/C(=C\2/C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)/O)F

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.06044859

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
10  11  8
10  14  8
11  15  8
14  17  8
15  18  8
17  18  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$