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

Systemtic Name: 3-[2-[(Z)-2-(3-chlorophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[(Z)-2-(3-chlorophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-[(Z)-2-(3-chlorophenyl)-2-cyanoethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-[(Z)-2-(3-chlorophenyl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[(Z)-2-(3-chlorophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid Formula: C20H13ClN2O2 MolecularWeight: 348.78242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN2O2/c21-17-6-1-4-14(10-17)16(13-22)12-19-8-3-9-23(19)18-7-2-5-15(11-18)20(24)25/h1-12H,(H,24,25)/b16-12+