2-[2-(4-methylphenyl)carbonylpyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[2-(4-methylphenyl)carbonylpyrrol-2-yl]ethanenitrile Openeye Name: 2-[2-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[2-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetonitrile IUPAC Name: 2-[2-(4-methylbenzoyl)pyrrol-2-yl]acetonitrile Traditional Name: 2-(2-p-toluoylpyrrol-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=CC=N2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2(C=CC=N2)CC#N

InChI

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