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

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

C=CC(C1=CC=CC=C1N2C=C(N=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=CC(C1=CC=CC=C1N2C=C(N=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11N3O4/c1-2-9(13(17)18)10-5-3-4-6-11(10)15-7-12(14-8-15)16(19)20/h2-9H,1H2,(H,17,18)