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

Systemtic Name: methyl (E)-2-cyano-5-methyl-2-(3-oxidanylidenepropyl)hex-3-enoate Openeye Name: methyl (E)-2-cyano-5-methyl-2-(3-oxopropyl)hex-3-enoate CAS Name: (E)-2-cyano-5-methyl-2-(3-oxopropyl)-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-5-methyl-2-(3-oxopropyl)hex-3-enoate Traditional Name: (E)-2-cyano-2-(3-ketopropyl)-5-methyl-hex-3-enoic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-10(2)5-7-12(9-13,6-4-8-14)11(15)16-3/h5,7-8,10H,4,6H2,1-3H3/b7-5+