diethyl 3,3-dicyano-2-(2-oxidanylidene-2-pyridin-3-yl-ethyl)cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl 3,3-dicyano-2-(2-oxidanylidene-2-pyridin-3-yl-ethyl)cyclohexane-1,1-dicarboxylate Openeye Name: diethyl 3,3-dicyano-2-[2-oxo-2-(3-pyridyl)ethyl]cyclohexane-1,1-dicarboxylate CAS Name: 3,3-dicyano-2-[2-oxo-2-(3-pyridinyl)ethyl]cyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3,3-dicyano-2-(2-oxo-2-pyridin-3-ylethyl)cyclohexane-1,1-dicarboxylate Traditional Name: 3,3-dicyano-2-[2-keto-2-(3-pyridyl)ethyl]cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC(C1CC(=O)C2=CN=CC=C2)(C#N)C#N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCCC(C1CC(=O)C2=CN=CC=C2)(C#N)C#N)C(=O)OCC

InChI

InChI=1S/C21H23N3O5/c1-3-28-18(26)21(19(27)29-4-2)9-6-8-20(13-22,14-23)17(21)11-16(25)15-7-5-10-24-12-15/h5,7,10,12,17H,3-4,6,8-9,11H2,1-2H3