3-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzenecarbonitrile

Systemtic Name: 3-(2-ethanoyl-3-oxidanylidene-but-1-enyl)benzenecarbonitrile Openeye Name: 3-(2-acetyl-3-oxo-but-1-enyl)benzonitrile CAS Name: 3-(2-acetyl-3-oxobut-1-enyl)benzonitrile IUPAC Name: 3-(2-acetyl-3-oxobut-1-enyl)benzonitrile Traditional Name: 3-(2-acetyl-3-keto-but-1-enyl)benzonitrile Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2/c1-9(15)13(10(2)16)7-11-4-3-5-12(6-11)8-14/h3-7H,1-2H3