Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester

CAS Registry Number®

32117-05-8
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CAS Name

Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester

Molecular Formula

C13H16N2O4

Molecular Mass

264.28

Cite this Page

Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32117-05-8 (retrieved 2024-09-07) (CAS RN: 32117-05-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O4/c1-19-13(16)10-5-6-11(12(9-10)15(17)18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3

InChIKey

InChIKey=PACMVJMRAUYEKK-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C=CC(C(OC)=O)=C1)N2CCCCC2

Canonical SMILES

O=C(OC)C1=CC=C(C(=C1)N(=O)=O)N2CCCCC2

Other Names for this Substance

  • Benzoic acid, 3-nitro-4-(1-piperidinyl)-, methyl ester
  • Benzoic acid, 3-nitro-4-piperidino-, methyl ester
  • Methyl 3-nitro-4-(piperidin-1-yl)benzoate
  • 3-Nitro-4-piperidin-1-yl-benzoic acid methyl ester