methyl 5-cyano-5-(4-methoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(4-methoxyphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(4-methoxyphenyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(4-methoxyphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(4-methoxyphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(4-methoxyphenyl)cyclohexanecarboxylic acid methyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-20-12-5-3-11(4-6-12)16(10-17)8-7-14(18)13(9-16)15(19)21-2/h3-6,13H,7-9H2,1-2H3