4-[2-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzoic acid Openeye Name: 4-[2-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzoic acid CAS Name: 4-[2-[(3-methyl-5-nitro-4-imidazolyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(3-methyl-5-nitroimidazol-4-yl)amino]ethyl]benzoic acid Traditional Name: 4-[2-[(3-methyl-5-nitro-imidazol-4-yl)amino]ethyl]benzoic acid Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCCC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-16-8-15-12(17(20)21)11(16)14-7-6-9-2-4-10(5-3-9)13(18)19/h2-5,8,14H,6-7H2,1H3,(H,18,19)