dimethyl 3,3-dicyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl 3,3-dicyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl 3,3-dicyano-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]cyclohexane-1,1-dicarboxylate CAS Name: 3,3-dicyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,3-dicyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1-dicarboxylate Traditional Name: 3,3-dicyano-2-[2-keto-2-(4-methoxyphenyl)ethyl]cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC2C(CCCC2(C(=O)OC)C(=O)OC)(C#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC2C(CCCC2(C(=O)OC)C(=O)OC)(C#N)C#N

InChI

InChI=1S/C21H22N2O6/c1-27-15-7-5-14(6-8-15)16(24)11-17-20(12-22,13-23)9-4-10-21(17,18(25)28-2)19(26)29-3/h5-8,17H,4,9-11H2,1-3H3