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

Systemtic Name: diethyl 3,3-dicyano-2-(2-oxidanylidenepropyl)cyclohexane-1,1-dicarboxylate Openeye Name: diethyl 2-acetonyl-3,3-dicyano-cyclohexane-1,1-dicarboxylate CAS Name: 3,3-dicyano-2-(2-oxopropyl)cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3,3-dicyano-2-(2-oxopropyl)cyclohexane-1,1-dicarboxylate Traditional Name: 2-acetonyl-3,3-dicyano-cyclohexane-1,1-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#N)C(=O)OCC

Isomeric SMILES

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

InChI

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