9610382
  -OEChem-05201315242D

 37 38  0     1  0  0  0  0  0999 V2000
    2.8660   -4.6739    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8380    2.6048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    3.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661    1.6267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3261    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4071    2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    4.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    2.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    2.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3554    1.9402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    4.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    4.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    5.1755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    5.0384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    2.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6420    2.7734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2439    3.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  1  0  0  0  0
  3 19  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  5 14  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9610382

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
496

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAEAAAAAAAAAAAAAAAAAQAAAAAwAAAAAAAAAAABAAAAHgIUAAAADQrhmCYyCILQBACoAjXzWAACAAAgBQAIiAEwCsgIJjKBsxCEMAAk1AGIqUenwCAOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 3-[(E)-(4-chlorophenyl)methoxyiminomethyl]-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(E)-(4-chlorophenyl)methoxyiminomethyl]-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_NAME>
methyl 3-[(E)-(4-chlorophenyl)methoxyiminomethyl]-5-methyl-2-oxo-1,3-dihydropyrrole-4-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 3-[(E)-(4-chlorophenyl)methoxyiminomethyl]-5-methyl-2-oxidanylidene-1,3-dihydropyrrole-4-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(E)-(4-chlorobenzyl)oximinomethyl]-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15ClN2O4/c1-9-13(15(20)21-2)12(14(19)18-9)7-17-22-8-10-3-5-11(16)6-4-10/h3-7,12H,8H2,1-2H3,(H,18,19)/b17-7+

> <PUBCHEM_IUPAC_INCHIKEY>
RAXLXPGBNWVKJN-REZTVBANSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
322.072035

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
322.7436

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(C(=O)N1)C=NOCC2=CC=C(C=C2)Cl)C(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(C(=O)N1)/C=N/OCC2=CC=C(C=C2)Cl)C(=O)OC

> <PUBCHEM_CACTVS_TPSA>
77

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
322.072035

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
16  18  8
17  20  8
18  21  8
20  22  8
21  22  8
8  23  3

$$$$