4-(4-cyano-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl)benzoic acid

Systemtic Name: 4-(4-cyano-5-oxidanylidene-3-phenyl-2H-pyrrol-1-yl)benzoic acid Openeye Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzoic acid CAS Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzoic acid IUPAC Name: 4-(4-cyano-5-oxo-3-phenyl-2H-pyrrol-1-yl)benzoic acid Traditional Name: 4-(3-cyano-2-keto-4-phenyl-3-pyrrolin-1-yl)benzoic acid Formula: C18H12N2O3 MolecularWeight: 304.29948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CC=C3

Isomeric SMILES

C1C(=C(C(=O)N1C2=CC=C(C=C2)C(=O)O)C#N)C3=CC=CC=C3

InChI

InChI=1S/C18H12N2O3/c19-10-15-16(12-4-2-1-3-5-12)11-20(17(15)21)14-8-6-13(7-9-14)18(22)23/h1-9H,11H2,(H,22,23)