(2E)-5-methyl-5-oxidanyl-3-oxidanylidene-2-[oxidanyl-(phenethylamino)methylidene]hexanenitrile

Systemtic Name: (2E)-5-methyl-5-oxidanyl-3-oxidanylidene-2-[oxidanyl-(phenethylamino)methylidene]hexanenitrile Openeye Name: (2E)-5-hydroxy-2-[hydroxy-(phenethylamino)methylene]-5-methyl-3-oxo-hexanenitrile CAS Name: (2E)-5-hydroxy-2-[hydroxy-(phenethylamino)methylidene]-5-methyl-3-oxohexanenitrile IUPAC Name: (2E)-5-hydroxy-2-[hydroxy-(phenethylamino)methylidene]-5-methyl-3-oxohexanenitrile Traditional Name: (E)-3-hydroxy-2-(3-hydroxy-3-methyl-butanoyl)-3-(phenethylamino)acrylonitrile Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C(=C(NCCC1=CC=CC=C1)O)C#N)O

Isomeric SMILES

CC(C)(CC(=O)/C(=C(\NCCC1=CC=CC=C1)/O)/C#N)O

InChI

InChI=1S/C16H20N2O3/c1-16(2,21)10-14(19)13(11-17)15(20)18-9-8-12-6-4-3-5-7-12/h3-7,18,20-21H,8-10H2,1-2H3/b15-13+