(E)-2-(3-methylphenyl)carbonyl-3-pyridin-4-yl-prop-2-enenitrile

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-pyridin-4-yl-prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(4-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-pyridin-4-yl-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-pyridin-4-ylprop-2-enenitrile Traditional Name: (E)-2-m-toluoyl-3-(4-pyridyl)acrylonitrile Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC=NC=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O/c1-12-3-2-4-14(9-12)16(19)15(11-17)10-13-5-7-18-8-6-13/h2-10H,1H3/b15-10+