3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid

Systemtic Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Openeye Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid CAS Name: 3-[2-(2-methyl-5-nitro-1-imidazolyl)ethoxy]benzoic acid IUPAC Name: 3-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]benzoic acid Traditional Name: 3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethoxy]benzoic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c1-9-14-8-12(16(19)20)15(9)5-6-21-11-4-2-3-10(7-11)13(17)18/h2-4,7-8H,5-6H2,1H3,(H,17,18)