diethyl (1S,3S)-1,3-dicyano-2-(2-oxidanylidenepropyl)cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,3S)-1,3-dicyano-2-(2-oxidanylidenepropyl)cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,3S)-2-acetonyl-1,3-dicyano-cyclohexane-1,3-dicarboxylate CAS Name: (1S,3S)-1,3-dicyano-2-(2-oxopropyl)cyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,3S)-1,3-dicyano-2-(2-oxopropyl)cyclohexane-1,3-dicarboxylate Traditional Name: (1S,3S)-2-acetonyl-1,3-dicyano-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@]1(CCC[C@](C1CC(=O)C)(C#N)C(=O)OCC)C#N

InChI

InChI=1S/C17H22N2O5/c1-4-23-14(21)16(10-18)7-6-8-17(11-19,15(22)24-5-2)13(16)9-12(3)20/h13H,4-9H2,1-3H3/t16-,17-/m1/s1