(E)-4-[2-(4-nitroimidazol-1-yl)phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[2-(4-nitroimidazol-1-yl)phenyl]but-3-enoic acid Openeye Name: (E)-4-[2-(4-nitroimidazol-1-yl)phenyl]but-3-enoic acid CAS Name: (E)-4-[2-(4-nitro-1-imidazolyl)phenyl]-3-butenoic acid IUPAC Name: (E)-4-[2-(4-nitroimidazol-1-yl)phenyl]but-3-enoic acid Traditional Name: (E)-4-[2-(4-nitroimidazol-1-yl)phenyl]but-3-enoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4/c17-13(18)7-3-5-10-4-1-2-6-11(10)15-8-12(14-9-15)16(19)20/h1-6,8-9H,7H2,(H,17,18)/b5-3+