4172532
  -OEChem-06191320252D

 26 26  0     0  0  0  0  0  0999 V2000
    2.0000   -1.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.9050    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  2  0  0  0  0
  4 17  2  0  0  0  0
  5 18  2  0  0  0  0
  6 10  1  0  0  0  0
  6 16  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 23  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4172532

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
353

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsAAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgIYAAAACAqBkCAxwILiAACIACVSUACCAAAhBwIeqACAZogIYCLBk7HUIAhwlADIyAcQAAAAAAAQAAIAABAAACAABAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-carbamoylhydrazino)-N-(2,5-dichlorophenyl)-2-oxo-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(carbamoylhydrazo)-N-(2,5-dichlorophenyl)-2-oxoacetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-carbamoylhydrazinyl)-N-(2,5-dichlorophenyl)-2-oxoacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-aminocarbonylhydrazinyl)-N-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,5-dichlorophenyl)-2-keto-2-semicarbazido-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H8Cl2N4O3/c10-4-1-2-5(11)6(3-4)13-7(16)8(17)14-15-9(12)18/h1-3H,(H,13,16)(H,14,17)(H3,12,15,18)

> <PUBCHEM_IUPAC_INCHIKEY>
LOFNFTQVDDRCHU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.4

> <PUBCHEM_EXACT_MASS>
289.997345

> <PUBCHEM_MOLECULAR_FORMULA>
C9H8Cl2N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
291.09082

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)NC(=O)C(=O)NNC(=O)N)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)NC(=O)C(=O)NNC(=O)N)Cl

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
289.997345

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
20

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  14  8
12  13  8
13  15  8
14  15  8

$$$$