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

Systemtic Name: 4-[2-[(Z)-2-(3-bromophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(Z)-2-(3-bromophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(Z)-2-(3-bromophenyl)-2-cyanoethenyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(Z)-2-(3-bromophenyl)-2-cyanoethenyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(Z)-2-(3-bromophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoate Formula: C20H12BrN2O2- MolecularWeight: 392.22548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=CC2=CC=CN2C3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)/C(=C/C2=CC=CN2C3=CC=C(C=C3)C(=O)[O-])/C#N

InChI

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