3-[3-[2-(3-chlorophenyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[3-[2-(3-chlorophenyl)-2-cyano-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Openeye Name: 3-[3-[2-(3-chlorophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[3-[2-(3-chlorophenyl)-2-cyanoethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid IUPAC Name: 3-[3-[2-(3-chlorophenyl)-2-cyanoethenyl]-2,5-dimethylpyrrol-1-yl]benzoic acid Traditional Name: 3-[3-[2-(3-chlorophenyl)-2-cyano-vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid Formula: C22H17ClN2O2 MolecularWeight: 376.83558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C(C#N)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H17ClN2O2/c1-14-9-18(10-19(13-24)16-5-3-7-20(23)11-16)15(2)25(14)21-8-4-6-17(12-21)22(26)27/h3-12H,1-2H3,(H,26,27)