[2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[1-(3,4-dichlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H16Cl2N2O3 MolecularWeight: 427.28004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16Cl2N2O3/c1-13-9-18(14(2)26(13)17-7-8-19(23)20(24)10-17)21(27)12-29-22(28)16-5-3-15(11-25)4-6-16/h3-10H,12H2,1-2H3