3-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoic acid

Systemtic Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoic acid Openeye Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoic acid CAS Name: 3-[(3-methyl-5-nitro-4-imidazolyl)amino]benzoic acid IUPAC Name: 3-[(3-methyl-5-nitroimidazol-4-yl)amino]benzoic acid Traditional Name: 3-[(3-methyl-5-nitro-imidazol-4-yl)amino]benzoic acid Formula: C11H10N4O4 MolecularWeight: 262.2215

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c1-14-6-12-9(15(18)19)10(14)13-8-4-2-3-7(5-8)11(16)17/h2-6,13H,1H3,(H,16,17)