2-(4-nitroimidazol-1-yl)-4-phenyl-butanoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)-4-phenyl-butanoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)-4-phenyl-butanoic acid CAS Name: 2-(4-nitro-1-imidazolyl)-4-phenylbutanoic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)-4-phenylbutanoic acid Traditional Name: 2-(4-nitroimidazol-1-yl)-4-phenyl-butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)N2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-13(18)11(7-6-10-4-2-1-3-5-10)15-8-12(14-9-15)16(19)20/h1-5,8-9,11H,6-7H2,(H,17,18)