4-(Acetylamino)-3-nitrobenzoic acid

CAS Registry Number®

1539-06-6

CAS Name

4-(Acetylamino)-3-nitrobenzoic acid

Molecular Formula

C9H8N2O5

Molecular Mass

224.17

Cite this Page

4-(Acetylamino)-3-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1539-06-6 (retrieved 2024-11-22) (CAS RN: 1539-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BRQIMWBIZLRLSV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(acetylamino)-3-nitro-
  • Benzoic acid, 4-acetamido-3-nitro-
  • 4-(Acetylamino)-3-nitrobenzoic acid
  • 4-Acetamido-3-nitrobenzoic acid
  • NSC 190738

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration