Methyl 3-(cyanomethyl)-4-nitrobenzoate

CAS Registry Number®

1260763-08-3
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CAS Name

Methyl 3-(cyanomethyl)-4-nitrobenzoate

Molecular Formula

C10H8N2O4

Molecular Mass

220.18

Cite this Page

Methyl 3-(cyanomethyl)-4-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1260763-08-3 (retrieved 2024-08-30) (CAS RN: 1260763-08-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8N2O4/c1-16-10(13)8-2-3-9(12(14)15)7(6-8)4-5-11/h2-3,6H,4H2,1H3

InChIKey

InChIKey=MYIIJYVEDDBECQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CCC1=CC(=CC=C1N(=O)=O)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-(cyanomethyl)-4-nitro-, methyl ester
  • Methyl 3-(cyanomethyl)-4-nitrobenzoate