774017
  -OEChem-04252412522D

 24 25  0     0  0  0  0  0  0999 V2000
    9.6801    2.4625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -0.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    1.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7580    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5823   -2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    0.4625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.6535    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4839    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3500    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5704    0.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013    0.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    1.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    1.4757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2160   -0.1575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2846    0.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5451    2.2725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    3.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3510    0.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  2  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  2  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
 11 19  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 24  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
774017

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzOAAAEAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAAAB4AAAHgBUAAABqATBkgQ9tJLYVECpALN3dwKCiCk9IiQp2CH+bPqOJvLEvb+POSjs1RPY67a8FwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(5-bromo-2-pyridyl)-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(5-bromo-2-pyridinyl)-5-nitro-2-furancarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(5-bromopyridin-2-yl)-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(5-bromopyridin-2-yl)-5-nitrofuran-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(5-bromanylpyridin-2-yl)-5-nitro-furan-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(5-bromo-2-pyridyl)-5-nitro-2-furamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6BrN3O4/c11-6-1-3-8(12-5-6)13-10(15)7-2-4-9(18-7)14(16)17/h1-5H,(H,12,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
IWEUGKPFSBXXAK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
310.95417

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6BrN3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
312.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=NC=C1Br)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.95417

> <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>
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>
11  14  8
12  15  8
13  14  8
15  16  8
16  17  8
17  18  8
2  13  8
2  9  8
7  12  8
7  18  8
9  11  8

$$$$