2892916
  -OEChem-05251317552D

 34 35  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 31  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
2892916

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
357

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIUAAAACArhkCYwwIPQRACJACVSUwCCAAAhBwAoiACIZooKYCLBk7HXIAhglADYyAcQAAAAAACAAAIAABAAAQAABAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-chloro-4-nitro-phenyl)-2-morpholino-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-chloro-4-nitrophenyl)-2-(4-morpholinyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2-chloro-4-nitrophenyl)-2-morpholin-4-ylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-chloranyl-4-nitro-phenyl)-2-morpholin-4-yl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-chloro-4-nitro-phenyl)-2-morpholino-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14ClN3O4/c13-10-7-9(16(18)19)1-2-11(10)14-12(17)8-15-3-5-20-6-4-15/h1-2,7H,3-6,8H2,(H,14,17)

> <PUBCHEM_IUPAC_INCHIKEY>
ZIVDJRRJSADUCW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
299.067284

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14ClN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
299.71026

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
87.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
299.067284

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8

$$$$