methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(3,4-dimethoxyphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-5-(3,4-dimethoxyphenyl)-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(=O)C(C2)C(=O)OC)C#N)OC

InChI

InChI=1S/C17H19NO5/c1-21-14-5-4-11(8-15(14)22-2)17(10-18)7-6-13(19)12(9-17)16(20)23-3/h4-5,8,12H,6-7,9H2,1-3H3