6508451
  -OEChem-05092403462D

 40 41  0     0  0  0  0  0  0999 V2000
    2.5369   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 39  1  0  0  0  0
  2 14  1  0  0  0  0
  2 40  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
  6 26  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 35  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  8 36  1  0  0  0  0
  9 25  1  0  0  0  0
  9 37  1  0  0  0  0
 10 26  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  2  0  0  0  0
 15 27  1  0  0  0  0
 16 22  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 23  1  0  0  0  0
 19 31  1  0  0  0  0
 20 24  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 22 34  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6508451

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
775

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7uAAAAAAAAAAAAAAAAAAAAAAAAAAgQAAAAAAAAAAAAAAAHgAYCAAADATBgAQAAABiAgCIAqFWUAAAAAAgIAIaKICAAEgIRAAAAQAAQAAAQAAIkYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N1',N2'-bis[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]ethanedihydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N1',N2'-bis[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]ethanedihydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-<I>N</I>&apos;,2-<I>N</I>&apos;-bis[(<I>E</I>)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]ethanedihydrazide

> <PUBCHEM_IUPAC_NAME>
1-N',2-N'-bis[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]ethanedihydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N1',N2'-bis[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanedihydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N1',N2'-bis[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]oxalohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N4O6/c21-11-3-1-9(13(23)5-11)7-17-19-15(25)16(26)20-18-8-10-2-4-12(22)6-14(10)24/h1-8,17-18,23-24H,(H,19,25)(H,20,26)/b9-7+,10-8+

> <PUBCHEM_IUPAC_INCHIKEY>
FEFGJHRXQSDQFO-FIFLTTCUSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
358.09133418

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
358.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CNNC(=O)C(=O)NNC=C2C=CC(=O)C=C2O)C(=CC1=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C/C(=C\NNC(=O)C(=O)NN/C=C\2/C(=CC(=O)C=C2)O)/C(=CC1=O)O

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.09133418

> <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>
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

$$$$