ethyl (1R,2S,3S)-1,3-dicyano-3-methyl-4-oxidanyl-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S,3S)-1,3-dicyano-3-methyl-4-oxidanyl-2-(2-oxidanylidenepropyl)cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S,3S)-2-acetonyl-1,3-dicyano-4-hydroxy-3-methyl-cyclohexanecarboxylate CAS Name: (1R,2S,3S)-1,3-dicyano-4-hydroxy-3-methyl-2-(2-oxopropyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S,3S)-1,3-dicyano-4-hydroxy-3-methyl-2-(2-oxopropyl)cyclohexane-1-carboxylate Traditional Name: (1R,2S,3S)-2-acetonyl-1,3-dicyano-4-hydroxy-3-methyl-cyclohexanecarboxylic acid ethyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4/c1-4-21-13(20)15(9-17)6-5-12(19)14(3,8-16)11(15)7-10(2)18/h11-12,19H,4-7H2,1-3H3/t11-,12?,14+,15-/m0/s1