Benzoic acid, 4-amino-2-cyano-, methyl ester

CAS Registry Number®

1628431-65-1
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CAS Name

Benzoic acid, 4-amino-2-cyano-, methyl ester

Molecular Formula

C9H8N2O2

Molecular Mass

176.17

Cite this Page

Benzoic acid, 4-amino-2-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1628431-65-1 (retrieved 2024-09-01) (CAS RN: 1628431-65-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8N2O2/c1-13-9(12)8-3-2-7(11)4-6(8)5-10/h2-4H,11H2,1H3

InChIKey

InChIKey=NUXNORSXWRMRPH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC(N)=CC=C1C(=O)OC

Other Names for this Substance

  • Benzoic acid, 4-amino-2-cyano-, methyl ester
  • Methyl 4-amino-2-cyanobenzoate