3-(Acetylamino)-2-nitrobenzoic acid

CAS Registry Number®

54002-28-7

CAS Name

3-(Acetylamino)-2-nitrobenzoic acid

Molecular Formula

C9H8N2O5

Molecular Mass

224.17

Cite this Page

3-(Acetylamino)-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=54002-28-7 (retrieved 2024-11-22) (CAS RN: 54002-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-243 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O5/c1-5(12)10-7-4-2-3-6(9(13)14)8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)

InChIKey

InChIKey=FOXLFUZFWTYAME-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C(O)=O)C=CC=C1NC(C)=O

Canonical SMILES

O=C(O)C=1C=CC=C(NC(=O)C)C1N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3-(acetylamino)-2-nitro-
  • 3-(Acetylamino)-2-nitrobenzoic acid
  • 3-Acetylamino-2-nitrobenzoic acid
  • NSC 159680
  • 3-Acetamido-2-nitrobenzoic acid

CAS INSIGHTSTM
Hourglass and a clock