2-[3-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[3-(4-chlorophenyl)carbonyl-1-methyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[3-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[3-[(4-chlorophenyl)-oxomethyl]-1-methyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[3-(4-chlorobenzoyl)-1-methylpyrrol-2-yl]acetonitrile Traditional Name: 2-[3-(4-chlorobenzoyl)-1-methyl-pyrrol-2-yl]acetonitrile Formula: C14H11ClN2O MolecularWeight: 258.70294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1CC#N)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=CC(=C1CC#N)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H11ClN2O/c1-17-9-7-12(13(17)6-8-16)14(18)10-2-4-11(15)5-3-10/h2-5,7,9H,6H2,1H3