methyl (3E)-2-cyano-2-(3-oxidanylidenepropyl)hepta-3,6-dienoate

Systemtic Name: methyl (3E)-2-cyano-2-(3-oxidanylidenepropyl)hepta-3,6-dienoate Openeye Name: methyl (3E)-2-cyano-2-(3-oxopropyl)hepta-3,6-dienoate CAS Name: (3E)-2-cyano-2-(3-oxopropyl)hepta-3,6-dienoic acid methyl ester IUPAC Name: methyl (3E)-2-cyano-2-(3-oxopropyl)hepta-3,6-dienoate Traditional Name: (3E)-2-cyano-2-(3-ketopropyl)hepta-3,6-dienoic acid methyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC=O)(C=CCC=C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-3-4-5-7-12(10-13,8-6-9-14)11(15)16-2/h3,5,7,9H,1,4,6,8H2,2H3/b7-5+