5280707
  -OEChem-05112413162D

 26 27  0     0  0  0  0  0  0999 V2000
    4.5032   -1.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7665   -0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8475    0.9839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3032    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5352   -1.9505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.9724    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5417    1.3440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -0.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -0.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9575   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    0.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2665   -1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7985    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665   -1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5755   -0.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -1.5788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3676    0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    0.7893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021   -2.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6309   -2.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1652   -0.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128    1.9505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1313    1.1525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 18  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  5  6  2  0  0  0  0
  6 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 19  1  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
5280707

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
376

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgAUAAAADAShkAIwhIBQRECJAqlS0wCCCAAsIgAoiAEGbMoMJj6MtZuKGSDm4BEI6Ye8SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-2-(2-furanyl)-3-(5-nitro-2-furanyl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2,12,14)/b8-6-

> <PUBCHEM_IUPAC_INCHIKEY>
LYAHJFZLDZDIOH-VURMDHGXSA-N

> <PUBCHEM_XLOGP3>
0.1

> <PUBCHEM_EXACT_MASS>
248.04332136

> <PUBCHEM_MOLECULAR_FORMULA>
C11H8N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
248.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=COC(=C1)/C(=C/C2=CC=C(O2)[N+](=O)[O-])/C(=O)N

> <PUBCHEM_CACTVS_TPSA>
115

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.04332136

> <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>
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>
1  13  8
1  9  8
11  15  8
12  14  8
13  14  8
15  17  8
17  18  8
2  11  8
2  18  8
9  12  8

$$$$