4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-1-cyano-vinyl]benzoate Formula: C22H16ClN2O2- MolecularWeight: 375.82764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)C=C(C#N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C22H17ClN2O2/c1-14-11-18(15(2)25(14)21-6-4-3-5-20(21)23)12-19(13-24)16-7-9-17(10-8-16)22(26)27/h3-12H,1-2H3,(H,26,27)/p-1/b19-12-