2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyl]benzoic acid Formula: C14H14N4O5 MolecularWeight: 318.28476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O5/c1-9-16-8-12(18(22)23)17(9)7-6-15-13(19)10-4-2-3-5-11(10)14(20)21/h2-5,8H,6-7H2,1H3,(H,15,19)(H,20,21)