ethyl 5-(2-chloranyl-5-methoxy-phenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl 5-(2-chloranyl-5-methoxy-phenyl)-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl 5-(2-chloro-5-methoxy-phenyl)-5-cyano-2-oxo-cyclohexanecarboxylate CAS Name: 5-(2-chloro-5-methoxyphenyl)-5-cyano-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-chloro-5-methoxyphenyl)-5-cyano-2-oxocyclohexane-1-carboxylate Traditional Name: 5-(2-chloro-5-methoxy-phenyl)-5-cyano-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO4/c1-3-23-16(21)12-9-17(10-19,7-6-15(12)20)13-8-11(22-2)4-5-14(13)18/h4-5,8,12H,3,6-7,9H2,1-2H3