9570327
  -OEChem-04192412522D

 33 34  0     0  0  0  0  0  0999 V2000
    2.8660   -2.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1391    2.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0112    5.1307    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4124    4.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.1307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.1307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    4.2172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    3.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9315    2.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    3.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 33  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3 21  2  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 29  1  0  0  0  0
 12 19  1  0  0  0  0
 13 26  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 27  1  0  0  0  0
 19 20  1  0  0  0  0
 20 28  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 25  1  0  0  0  0
 23 30  1  0  0  0  0
 24 25  2  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  CHG  6   4  -1   6  -1   8  -1  10   1  12   1  14   1
M  END
> <PUBCHEM_COMPOUND_CID>
9570327

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
610

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzvAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgAcCAAADAzBmAQwxoByRkCpArVzUwSSCAAsIgA6iAEnbNoOJraW9duKeWDm6FEI+Ye8yCCOAEAAQAQIEAAAgACACBAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxy-3,5-dinitro-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxy-3,5-dinitro-N-[(E)-(5-nitro-2-furanyl)methylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxy-3,5-dinitro-<I>N</I>-[(<I>E</I>)-(5-nitrofuran-2-yl)methylideneamino]benzamide

> <PUBCHEM_IUPAC_NAME>
2-hydroxy-3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,5-dinitro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxidanyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxy-3,5-dinitro-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)/b13-5+

> <PUBCHEM_IUPAC_INCHIKEY>
XXUXXCZCUGIGPP-WLRTZDKTSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
365.02437682

> <PUBCHEM_MOLECULAR_FORMULA>
C12H7N5O9

> <PUBCHEM_MOLECULAR_WEIGHT>
365.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(OC(=C1)[N+](=O)[O-])C=NNC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O

> <PUBCHEM_CACTVS_TPSA>
212

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.02437682

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
15  16  8
15  18  8
16  17  8
17  20  8
18  19  8
19  20  8
2  22  8
2  24  8
22  23  8
23  25  8
24  25  8

$$$$