methyl 5-cyano-5-(3-methylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-5-(3-methylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-5-(m-tolyl)-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-5-(3-methylphenyl)-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-5-(3-methylphenyl)-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-(m-tolyl)cyclohexanecarboxylic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCC(=O)C(C2)C(=O)OC)C#N

InChI

InChI=1S/C16H17NO3/c1-11-4-3-5-12(8-11)16(10-17)7-6-14(18)13(9-16)15(19)20-2/h3-5,8,13H,6-7,9H2,1-2H3