2-nitrobenzen-1-olate
  Marvin  02041116402D          

 10 10  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
 10  2  1  0  0  0  0
  4  3  2  0  0  0  0
  9  4  1  0  0  0  0
  9 10  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  3   5  -1   7   1   8  -1
M  END
> <ID>
CHEBI:57703

> <NAME>
2-nitrophenolate

> <DEFINITION>
The conjugate base of 2-nitrophenol; major apecies at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-nitrophenol

> <IUPAC_NAME>
2-nitrophenolate

> <FORMULA>
C6H4NO3

> <MASS>
138.10090

> <MONOISOTOPIC_MASS>
138.01967

> <CHARGE>
-1

> <SMILES>
[O-]c1ccccc1[N+]([O-])=O

> <INCHI>
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H/p-1

> <INCHIKEY>
IQUPABOKLQSFBK-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3542179

> <GMELIN_REGISTRY_NUMBER>
327584

$$$$