771978
  -OEChem-04232423482D

 23 24  0     0  0  0  0  0  0999 V2000
    7.2437    0.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4951   -1.4397    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.3141    0.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073   -0.6307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347   -1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4128   -1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9739   -1.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6650   -2.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.2088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 14  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
771978

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzuAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAB4AAAHgAUAAAACATBkgQ9lJbYVECpALF3dwKCiCk9IqAp2CH+bNqOLrLE/f+PHSjswRNY6aa8FwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-nitro-N-pyrimidin-2-yl-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-nitro-N-(2-pyrimidinyl)-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-nitro-<I>N</I>-pyrimidin-2-ylfuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-nitro-N-pyrimidin-2-yl-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-nitro-N-(2-pyrimidyl)-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14)

> <PUBCHEM_IUPAC_INCHIKEY>
KCHGOPIQDAYFTC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
234.03890469

> <PUBCHEM_MOLECULAR_FORMULA>
C9H6N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
234.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CN=C(N=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

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

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
234.03890469

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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  11  8
1  9  8
10  13  8
11  13  8
15  17  8
16  17  8
7  14  8
7  15  8
8  14  8
8  16  8
9  10  8

$$$$