1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate

CAS Registry Number®

123846-70-8

CAS Name

1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate

Molecular Formula

C12H13N3O4

Molecular Mass

263.25

Cite this Page

1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=123846-70-8 (retrieved 2024-11-23) (CAS RN: 123846-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-85 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)8(7-13)10-9(15(17)18)5-4-6-14-10/h4-6,8H,1-3H3

InChIKey

InChIKey=JMNLJNCYWRHEBL-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Pyridineacetic acid, α-cyano-3-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl α-cyano-3-nitro-2-pyridineacetate

CAS INSIGHTSTM
Hourglass and a clock