3-[2-[(Z)-2-(4-bromophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-[(Z)-2-(4-bromophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-2-(4-bromophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-2-(4-bromophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid Formula: C20H13BrN2O2 MolecularWeight: 393.23342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C(C#N)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2/C=C(\C#N)/C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H13BrN2O2/c21-17-8-6-14(7-9-17)16(13-22)12-19-5-2-10-23(19)18-4-1-3-15(11-18)20(24)25/h1-12H,(H,24,25)/b16-12+