methyl (E)-2-cyano-5,5-dimethyl-2-(3-oxidanylidenepropyl)hex-3-enoate

Systemtic Name: methyl (E)-2-cyano-5,5-dimethyl-2-(3-oxidanylidenepropyl)hex-3-enoate Openeye Name: methyl (E)-2-cyano-5,5-dimethyl-2-(3-oxopropyl)hex-3-enoate CAS Name: (E)-2-cyano-5,5-dimethyl-2-(3-oxopropyl)-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-5,5-dimethyl-2-(3-oxopropyl)hex-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)-5,5-dimethyl-hex-3-enoic acid methyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)/C=C/C(CCC=O)(C#N)C(=O)OC

InChI

InChI=1S/C13H19NO3/c1-12(2,3)7-8-13(10-14,6-5-9-15)11(16)17-4/h7-9H,5-6H2,1-4H3/b8-7+