(2E)-4-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]pentanenitrile

Systemtic Name: (2E)-4-methyl-3-oxidanylidene-2-[oxidanyl(phenyl)methylidene]pentanenitrile Openeye Name: (2E)-2-[hydroxy(phenyl)methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[hydroxy(phenyl)methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[hydroxy(phenyl)methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-hydroxy-2-isobutyryl-3-phenyl-acrylonitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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