Marvin  09200614172D          

 13 13  0  0  0  0            999 V2000
   -2.6832   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687   -1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6832    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9687    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543    1.6250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2543   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5398    0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -0.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  9  2  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:36555

> <NAME>
N-acetylanthranilic acid

> <DEFINITION>
An amidobenzoic acid consisting of anthranilic acid carrying an N-acetyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19414; CHEBI:32578

> <SYNONYM>
o-Acetoaminobenzoic acid; o-Acetamidobenzoic acid; N-Acetylanthranilic acid; N-Acetylanthranilic acid; 2-Carboxyacetanilide; 2-(Acetylamino)benzoic acid; 2-(Acetylamino)-benzoic acid

> <IUPAC_NAME>
2-acetamidobenzoic acid

> <FORMULA>
C9H9NO3

> <MASS>
179.17270

> <MONOISOTOPIC_MASS>
179.05824

> <CHARGE>
0

> <SMILES>
CC(=O)Nc1ccccc1C(O)=O

> <INCHI>
InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

> <INCHIKEY>
QSACCXVHEVWNMX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
880371

> <CAS_REGISTRY_NUMBER>
89-52-1

> <REAXYS_REGISTRY_NUMBER>
880371

> <CHEMIDPLUS>
89-52-1

> <KEGG_COMPOUND_ACCESSION>
C06332

> <PDBECHEM_ACCESSION>
ZZ8

$$$$