4-[2-[(E)-2-(4-chlorophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(4-chlorophenyl)-2-cyano-ethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-chlorophenyl)-2-cyano-vinyl]pyrrol-1-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4-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=CN(C(=C1)C=C(C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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