methyl (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-oxo-cyclohexanecarboxylate CAS Name: (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-oxocyclohexane-1-carboxylate Traditional Name: (1S,5R)-5-(4-chlorophenyl)-5-cyano-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C15H14ClNO3 MolecularWeight: 291.72956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1C[C@@](CCC1=O)(C#N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClNO3/c1-20-14(19)12-8-15(9-17,7-6-13(12)18)10-2-4-11(16)5-3-10/h2-5,12H,6-8H2,1H3/t12-,15-/m0/s1