3-[(E)-3-oxidanylidene-4-pyridin-3-yl-but-1-enyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-3-oxidanylidene-4-pyridin-3-yl-but-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-oxo-4-(3-pyridyl)but-1-enyl]benzonitrile CAS Name: 3-[(E)-3-oxo-4-(3-pyridinyl)but-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-oxo-4-pyridin-3-ylbut-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-4-(3-pyridyl)but-1-enyl]benzonitrile Formula: C16H12N2O MolecularWeight: 248.27928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C=CC(=O)CC2=CN=CC=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C=C/C(=O)CC2=CN=CC=C2)C#N

InChI

InChI=1S/C16H12N2O/c17-11-14-4-1-3-13(9-14)6-7-16(19)10-15-5-2-8-18-12-15/h1-9,12H,10H2/b7-6+