3-(Acetylamino)-5-nitrobenzoic acid

CAS Registry Number®

5464-58-4

CAS Name

3-(Acetylamino)-5-nitrobenzoic acid

Molecular Formula

C9H8N2O5

Molecular Mass

224.17

Cite this Page

3-(Acetylamino)-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5464-58-4 (retrieved 2024-11-21) (CAS RN: 5464-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >270 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PXAFGNQRBIXGLM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(acetylamino)-5-nitro-
  • Benzoic acid, 3-acetamido-5-nitro-
  • 3-(Acetylamino)-5-nitrobenzoic acid
  • 3-Acetamido-5-nitrobenzoic acid
  • NSC 15321

CAS INSIGHTSTM
Targeted protein degrader structure, illustration