Methyl 4-cyano-2-nitrobenzoate

CAS Registry Number®

52449-76-0

CAS Name

Methyl 4-cyano-2-nitrobenzoate

Molecular Formula

C9H6N2O4

Molecular Mass

206.15

Cite this Page

Methyl 4-cyano-2-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52449-76-0 (retrieved 2024-11-24) (CAS RN: 52449-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6N2O4/c1-15-9(12)7-3-2-6(5-10)4-8(7)11(13)14/h2-4H,1H3

InChIKey

InChIKey=VNJLHPJTOHUNQK-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=C(N(=O)=O)C=C(C#N)C=C1

Canonical SMILES

N#CC1=CC=C(C(=O)OC)C(=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-cyano-2-nitro-, methyl ester
  • Methyl 4-cyano-2-nitrobenzoate
  • 4-Cyano-2-nitrobenzoic acid methyl ester

CAS INSIGHTSTM
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