2-Pyridineacetic acid, α-cyano-4-methyl-3-nitro-, ethyl ester

CAS Registry Number®

56057-20-6

CAS Name

2-Pyridineacetic acid, α-cyano-4-methyl-3-nitro-, ethyl ester

Molecular Formula

C11H11N3O4

Molecular Mass

249.22

Cite this Page

2-Pyridineacetic acid, α-cyano-4-methyl-3-nitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56057-20-6 (retrieved 2025-01-20) (CAS RN: 56057-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-173.5 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H11N3O4/c1-3-18-11(15)8(6-12)9-10(14(16)17)7(2)4-5-13-9/h4-5,8H,3H2,1-2H3

InChIKey

InChIKey=VHSRZSPXKKNZLO-UHFFFAOYSA-N

SMILES

C(C(OCC)=O)(C#N)C1=C(N(=O)=O)C(C)=CC=N1

Canonical SMILES

N#CC(C(=O)OCC)C1=NC=CC(=C1N(=O)=O)C

Other Names for this Substance

  • 2-Pyridineacetic acid, α-cyano-4-methyl-3-nitro-, ethyl ester
  • Ethyl α-cyano-4-methyl-3-nitro-2-pyridineacetate