5-(Acetylamino)-3-amino-2-nitrobenzoic acid

CAS Registry Number®

54002-31-2
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CAS Name

5-(Acetylamino)-3-amino-2-nitrobenzoic acid

Molecular Formula

C9H9N3O5

Molecular Mass

239.18

Cite this Page

5-(Acetylamino)-3-amino-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54002-31-2 (retrieved 2024-07-08) (CAS RN: 54002-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9N3O5/c1-4(13)11-5-2-6(9(14)15)8(12(16)17)7(10)3-5/h2-3H,10H2,1H3,(H,11,13)(H,14,15)

InChIKey

InChIKey=MUMKZTDIVDHANZ-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C(O)=O)C=C(NC(C)=O)C=C1N

Canonical SMILES

O=C(O)C1=CC(=CC(N)=C1N(=O)=O)NC(=O)C

Other Names for this Substance

  • Benzoic acid, 5-(acetylamino)-3-amino-2-nitro-
  • 5-(Acetylamino)-3-amino-2-nitrobenzoic acid