(2E)-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]hexanenitrile Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-3-oxo-hexanenitrile CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-3-oxohexanenitrile IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-3-oxohexanenitrile Traditional Name: (E)-2-butyryl-3-hydroxy-3-phenyl-acrylonitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2/c1-2-6-12(15)11(9-14)13(16)10-7-4-3-5-8-10/h3-5,7-8,16H,2,6H2,1H3/b13-11+