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

Systemtic Name: ethyl (Z)-2-cyano-2-(3-methylbutyl)-5-oxidanylidene-hex-3-enoate Openeye Name: ethyl (Z)-2-cyano-2-isopentyl-5-oxo-hex-3-enoate CAS Name: (Z)-2-cyano-2-(3-methylbutyl)-5-oxo-3-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-2-(3-methylbutyl)-5-oxohex-3-enoate Traditional Name: (Z)-2-cyano-2-isoamyl-5-keto-hex-3-enoic acid ethyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C(CCC(C)C)(/C=C\C(=O)C)C#N

InChI

InChI=1S/C14H21NO3/c1-5-18-13(17)14(10-15,8-6-11(2)3)9-7-12(4)16/h7,9,11H,5-6,8H2,1-4H3/b9-7-