ethyl 2-cyano-5-oxidanylidene-2-(3-oxidanylidenebutyl)hexanoate

Systemtic Name: ethyl 2-cyano-5-oxidanylidene-2-(3-oxidanylidenebutyl)hexanoate Openeye Name: ethyl 2-cyano-5-oxo-2-(3-oxobutyl)hexanoate CAS Name: 2-cyano-5-oxo-2-(3-oxobutyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-oxo-2-(3-oxobutyl)hexanoate Traditional Name: 2-cyano-5-keto-2-(3-ketobutyl)hexanoic acid ethyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-4-18-12(17)13(9-14,7-5-10(2)15)8-6-11(3)16/h4-8H2,1-3H3