ethyl (1S,2R)-1-cyano-3-oxidanylidene-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2R)-1-cyano-3-oxidanylidene-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2R)-2-acetonyl-1-cyano-3-oxo-cyclohexanecarboxylate CAS Name: (1S,2R)-1-cyano-3-oxo-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-1-cyano-3-oxo-2-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-acetonyl-1-cyano-3-keto-cyclohexanecarboxylic acid ethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC(=O)C1CC(=O)C)C#N

Isomeric SMILES

CCOC(=O)[C@]1(CCCC(=O)[C@@H]1CC(=O)C)C#N

InChI

InChI=1S/C13H17NO4/c1-3-18-12(17)13(8-14)6-4-5-11(16)10(13)7-9(2)15/h10H,3-7H2,1-2H3/t10-,13+/m0/s1