(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(1-imidazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-imidazol-1-ylphenyl)acrylic acid Formula: C13H9N3O2 MolecularWeight: 239.22946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C(=O)O)N2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C(=O)O)N2C=CN=C2

InChI

InChI=1S/C13H9N3O2/c14-8-11(13(17)18)7-10-1-3-12(4-2-10)16-6-5-15-9-16/h1-7,9H,(H,17,18)/b11-7+