methyl 5-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 5-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-2-oxo-cyclohexanecarboxylate CAS Name: 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-2-oxocyclohexane-1-carboxylate Traditional Name: 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C17H15F4NO5 MolecularWeight: 389.298313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F4NO5/c1-25-14(24)10-7-17(8-22,5-4-11(10)23)9-2-3-12(26-15(18)19)13(6-9)27-16(20)21/h2-3,6,10,15-16H,4-5,7H2,1H3