2-(3-oxidanylidenebutanoyl)benzenecarbonitrile

Systemtic Name: 2-(3-oxidanylidenebutanoyl)benzenecarbonitrile Openeye Name: 2-(3-oxobutanoyl)benzonitrile CAS Name: 2-(1,3-dioxobutyl)benzonitrile IUPAC Name: 2-(3-oxobutanoyl)benzonitrile Traditional Name: 2-acetoacetylbenzonitrile Formula: C11H9NO2 MolecularWeight: 187.19466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=CC=C1C#N

Isomeric SMILES

CC(=O)CC(=O)C1=CC=CC=C1C#N

InChI

InChI=1S/C11H9NO2/c1-8(13)6-11(14)10-5-3-2-4-9(10)7-12/h2-5H,6H2,1H3