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

Systemtic Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]benzoic acid CAS Name: 2-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxycarbonyl]benzoic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O6/c1-9-15-8-12(17(21)22)16(9)6-7-23-14(20)11-5-3-2-4-10(11)13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)