4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid

CAS Registry Number®

85633-96-1

CAS Name

4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid

Molecular Formula

C11H10ClNO5

Molecular Mass

271.65

Cite this Page

4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85633-96-1 (retrieved 2024-11-22) (CAS RN: 85633-96-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H10ClNO5/c1-6(4-10(14)15)11(16)7-2-3-8(12)9(5-7)13(17)18/h2-3,5-6H,4H2,1H3,(H,14,15)

InChIKey

InChIKey=ZDGKTISONWFCDF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 4-chloro-β-methyl-3-nitro-γ-oxo-
  • 4-Chloro-β-methyl-3-nitro-γ-oxobenzenebutanoic acid
  • 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid
  • 3-Methyl-4-oxo-4-(3′-nitro-4′-chloro-phenyl)-butyric acid

Deleted or Replaced CAS Registry Numbers

151870-04-1

CAS INSIGHTSTM
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