tert-butyl (E)-2-cyano-2-(3-oxidanylidenepropyl)hex-3-enoate

Systemtic Name: tert-butyl (E)-2-cyano-2-(3-oxidanylidenepropyl)hex-3-enoate Openeye Name: tert-butyl (E)-2-cyano-2-(3-oxopropyl)hex-3-enoate CAS Name: (E)-2-cyano-2-(3-oxopropyl)-3-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-cyano-2-(3-oxopropyl)hex-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)hex-3-enoic acid tert-butyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO3/c1-5-6-8-14(11-15,9-7-10-16)12(17)18-13(2,3)4/h6,8,10H,5,7,9H2,1-4H3/b8-6+