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

Systemtic Name: 2-[1-methyl-3-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[1-methyl-3-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[1-methyl-3-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[1-methyl-3-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-(1-methyl-3-p-toluoyl-pyrrol-2-yl)acetonitrile Formula: C15H14N2O MolecularWeight: 238.28446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O/c1-11-3-5-12(6-4-11)15(18)13-8-10-17(2)14(13)7-9-16/h3-6,8,10H,7H2,1-2H3