12004549
  -OEChem-04252406192D

 31 32  0     0  0  0  0  0  0999 V2000
    2.8660    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 21  2  0  0  0  0
  3 10  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 26  1  0  0  0  0
  7 13  2  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
  9 21  1  0  0  0  0
  9 31  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 15  2  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 14 23  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  CHG  2   3  -1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
12004549

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
665

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAHgAcAAAADAzBgAQDAAJyQACpA6Z2dwAQAAEgAgI+KICwAEgIAAAAAQAAAAAACAAIgYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-methyl-5-[2-[(Z)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-2H-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-methyl-5-[[(Z)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]hydrazo]-2H-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-methyl-5-[2-[(<I>Z</I>)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2<I>H</I>-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_NAME>
6-methyl-5-[2-[(Z)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2H-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-methyl-5-[2-[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-2H-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[N'-[(Z)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-6-methyl-2H-1,2,4-triazin-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H10N6O4/c1-6-10(13-11(19)16-14-6)15-12-5-7-2-3-9(18)8(4-7)17(20)21/h2-5,12H,1H3,(H2,13,15,16,19)/b7-5-

> <PUBCHEM_IUPAC_INCHIKEY>
KCANBOAHXQIHAW-ALCCZGGFSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
290.07635282

> <PUBCHEM_MOLECULAR_FORMULA>
C11H10N6O4

> <PUBCHEM_MOLECULAR_WEIGHT>
290.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NNC(=O)N=C1NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NNC(=O)N=C1NN/C=C\2/C=CC(=O)C(=C2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
141

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.07635282

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
13  17  8
7  13  8
7  21  8
8  17  8
8  9  8
9  21  8

$$$$