5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid

CAS Registry Number®

1000018-50-7

CAS Name

5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid

Molecular Formula

C13H16N2O4

Molecular Mass

264.28

Cite this Page

5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000018-50-7 (retrieved 2024-11-24) (CAS RN: 1000018-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16N2O4/c16-13(17)11-9-10(5-6-12(11)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)

InChIKey

InChIKey=PWQLQASFACMTGY-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C=CC1N(=O)=O)N2CCCCCC2

Canonical SMILES

O=C(O)C1=CC(=CC=C1N(=O)=O)N2CCCCCC2

Other Names for this Substance

  • Benzoic acid, 5-(hexahydro-1H-azepin-1-yl)-2-nitro-
  • 5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid

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