3-[(E)-4-oxidanylidenebut-2-en-2-yl]benzenecarbonitrile

Systemtic Name: 3-[(E)-4-oxidanylidenebut-2-en-2-yl]benzenecarbonitrile Openeye Name: 3-[(E)-1-methyl-3-oxo-prop-1-enyl]benzonitrile CAS Name: 3-[(E)-4-oxobut-2-en-2-yl]benzonitrile IUPAC Name: 3-[(E)-4-oxobut-2-en-2-yl]benzonitrile Traditional Name: 3-[(E)-3-keto-1-methyl-prop-1-enyl]benzonitrile Formula: C11H9NO MolecularWeight: 171.19526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C=O)/C1=CC=CC(=C1)C#N

InChI

InChI=1S/C11H9NO/c1-9(5-6-13)11-4-2-3-10(7-11)8-12/h2-7H,1H3/b9-5+