methyl 5-cyano-2-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-cyano-2-oxidanylidene-5-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-2-oxo-5-phenyl-cyclohexanecarboxylate CAS Name: 5-cyano-2-oxo-5-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-oxo-5-phenylcyclohexane-1-carboxylate Traditional Name: 5-cyano-2-keto-5-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CC(CCC1=O)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H15NO3/c1-19-14(18)12-9-15(10-16,8-7-13(12)17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3