diethyl (1S,2R,3S)-1-cyano-3-methyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2R,3S)-1-cyano-3-methyl-4-oxidanylidene-2-(2-oxidanylidenepropyl)cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3S)-2-acetonyl-1-cyano-3-methyl-4-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S)-1-cyano-3-methyl-4-oxo-2-(2-oxopropyl)cyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3S)-1-cyano-3-methyl-4-oxo-2-(2-oxopropyl)cyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S)-2-acetonyl-1-cyano-4-keto-3-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(CCC1=O)(C#N)C(=O)OCC)CC(=O)C)C

Isomeric SMILES

CCOC(=O)[C@]1([C@@H]([C@@](CCC1=O)(C#N)C(=O)OCC)CC(=O)C)C

InChI

InChI=1S/C17H23NO6/c1-5-23-14(21)16(4)12(9-11(3)19)17(10-18,8-7-13(16)20)15(22)24-6-2/h12H,5-9H2,1-4H3/t12-,16-,17+/m0/s1