Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

CAS Registry Number®

102274-41-9
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CAS Name

Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester

Molecular Formula

C13H12ClN3O4

Molecular Mass

309.71

Cite this Page

Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102274-41-9 (retrieved 2024-09-06) (CAS RN: 102274-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12ClN3O4/c1-9-15-8-12(17(19)20)16(9)5-6-21-13(18)10-3-2-4-11(14)7-10/h2-4,7-8H,5-6H2,1H3

InChIKey

InChIKey=HKNKOUDLYNXHDQ-UHFFFAOYSA-N

SMILES

C(COC(=O)C1=CC(Cl)=CC=C1)N2C(N(=O)=O)=CN=C2C

Canonical SMILES

O=C(OCCN1C(=NC=C1N(=O)=O)C)C=2C=CC=C(Cl)C2

Other Names for this Substance

  • Benzoic acid, 3-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
  • Metronidazole 3-chlorobenzoate
  • 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-chlorobenzoate