3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-3-oxo-propanenitrile CAS Name: 3-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-3-oxopropanenitrile IUPAC Name: 3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-3-oxopropanenitrile Traditional Name: 3-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-3-keto-propionitrile Formula: C16H16N2O MolecularWeight: 252.31104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CC#N)C

InChI

InChI=1S/C16H16N2O/c1-11-4-6-14(7-5-11)18-12(2)10-15(13(18)3)16(19)8-9-17/h4-7,10H,8H2,1-3H3