ethyl (E)-2-cyano-3-ethyl-2-(3-methylbutyl)-5-oxidanylidene-hex-3-enoate

Systemtic Name: ethyl (E)-2-cyano-3-ethyl-2-(3-methylbutyl)-5-oxidanylidene-hex-3-enoate Openeye Name: ethyl (E)-2-cyano-3-ethyl-2-isopentyl-5-oxo-hex-3-enoate CAS Name: (E)-2-cyano-3-ethyl-2-(3-methylbutyl)-5-oxo-3-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-ethyl-2-(3-methylbutyl)-5-oxohex-3-enoate Traditional Name: (E)-2-cyano-3-ethyl-2-isoamyl-5-keto-hex-3-enoic acid ethyl ester Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)C)C(CCC(C)C)(C#N)C(=O)OCC

Isomeric SMILES

CC/C(=C\C(=O)C)/C(CCC(C)C)(C#N)C(=O)OCC

InChI

InChI=1S/C16H25NO3/c1-6-14(10-13(5)18)16(11-17,9-8-12(3)4)15(19)20-7-2/h10,12H,6-9H2,1-5H3/b14-10+