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

Systemtic Name: (E)-2-(3-methylphenyl)carbonyl-3-pyridin-3-yl-prop-2-enenitrile Openeye Name: (E)-2-(3-methylbenzoyl)-3-(3-pyridyl)prop-2-enenitrile CAS Name: (E)-2-[(3-methylphenyl)-oxomethyl]-3-(3-pyridinyl)-2-propenenitrile IUPAC Name: (E)-2-(3-methylbenzoyl)-3-pyridin-3-ylprop-2-enenitrile Traditional Name: (E)-2-m-toluoyl-3-(3-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=CN=CC=C2)C#N

Isomeric SMILES

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

InChI

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