4-(2-methylidene-1-oxidanyl-3-oxidanylidene-butyl)benzenecarbonitrile

Systemtic Name: 4-(2-methylidene-1-oxidanyl-3-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 4-(1-hydroxy-2-methylene-3-oxo-butyl)benzonitrile CAS Name: 4-(1-hydroxy-2-methylene-3-oxobutyl)benzonitrile IUPAC Name: 4-(1-hydroxy-2-methylidene-3-oxobutyl)benzonitrile Traditional Name: 4-(2-acetyl-1-hydroxy-allyl)benzonitrile Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-8(9(2)14)12(15)11-5-3-10(7-13)4-6-11/h3-6,12,15H,1H2,2H3