2-[3-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[3-(4-methylphenyl)carbonyl-1H-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[3-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetonitrile CAS Name: 2-[3-[(4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]acetonitrile IUPAC Name: 2-[3-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetonitrile Traditional Name: 2-(3-p-toluoyl-1H-pyrrol-2-yl)acetonitrile Formula: C14H12N2O MolecularWeight: 224.25788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(NC=C2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(NC=C2)CC#N

InChI

InChI=1S/C14H12N2O/c1-10-2-4-11(5-3-10)14(17)12-7-9-16-13(12)6-8-15/h2-5,7,9,16H,6H2,1H3