9568691
  -OEChem-05251303092D

 16 16  0     0  0  0  0  0  0999 V2000
    2.0000    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
9568691

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjMAAGAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHAAEIAAACAiBAAAAAAAQQAChASRiQwAAAAAgAgAoCAAQABgAAAAAAAAAAAAAAAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N1,N4-dichloro-2-nitro-cyclohexa-2,5-diene-1,4-diimine

> <PUBCHEM_IUPAC_CAS_NAME>
N1,N4-dichloro-2-nitrocyclohexa-2,5-diene-1,4-diimine

> <PUBCHEM_IUPAC_NAME>
1-N,4-N-dichloro-2-nitrocyclohexa-2,5-diene-1,4-diimine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N1,N4-bis(chloranyl)-2-nitro-cyclohexa-2,5-diene-1,4-diimine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(E)-chloro-[(4E)-4-chloroimino-2-nitro-cyclohexa-2,5-dien-1-ylidene]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H3Cl2N3O2/c7-9-4-1-2-5(10-8)6(3-4)11(12)13/h1-3H/b9-4+,10-5+

> <PUBCHEM_IUPAC_INCHIKEY>
ORWDXWWPKIWJHP-LUZURFALSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
218.960232

> <PUBCHEM_MOLECULAR_FORMULA>
C6H3Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
220.01292

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NCl)C(=CC1=NCl)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C\1=C/C(=N\Cl)/C(=C/C1=N/Cl)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
70.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.960232

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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

$$$$