2-[3-[(E)-3-oxidanylidenebut-1-enyl]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 2-[3-[(E)-3-oxidanylidenebut-1-enyl]pyridin-4-yl]benzenecarbonitrile Openeye Name: 2-[3-[(E)-3-oxobut-1-enyl]-4-pyridyl]benzonitrile CAS Name: 2-[3-[(E)-3-oxobut-1-enyl]-4-pyridinyl]benzonitrile IUPAC Name: 2-[3-[(E)-3-oxobut-1-enyl]pyridin-4-yl]benzonitrile Traditional Name: 2-[3-[(E)-3-ketobut-1-enyl]-4-pyridyl]benzonitrile Formula: C16H12N2O MolecularWeight: 248.27928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C=CN=C1)C2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)/C=C/C1=C(C=CN=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H12N2O/c1-12(19)6-7-14-11-18-9-8-16(14)15-5-3-2-4-13(15)10-17/h2-9,11H,1H3/b7-6+