5-(3-Methyl-1-piperidinyl)-2-nitrobenzoic acid

CAS Registry Number®

1000018-45-0
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CAS Name

5-(3-Methyl-1-piperidinyl)-2-nitrobenzoic acid

Molecular Formula

C13H16N2O4

Molecular Mass

264.28

Cite this Page

5-(3-Methyl-1-piperidinyl)-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000018-45-0 (retrieved 2024-07-01) (CAS RN: 1000018-45-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O4/c1-9-3-2-6-14(8-9)10-4-5-12(15(18)19)11(7-10)13(16)17/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,17)

InChIKey

InChIKey=VEHSJMVPIQNXGP-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1N(=O)=O)N2CC(C)CCC2

Canonical SMILES

O=C(O)C1=CC(=CC=C1N(=O)=O)N2CCCC(C)C2

Other Names for this Substance

  • Benzoic acid, 5-(3-methyl-1-piperidinyl)-2-nitro-
  • 5-(3-Methyl-1-piperidinyl)-2-nitrobenzoic acid