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

Systemtic Name: methyl 1-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-5-cyano-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 5-cyano-1-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 5-cyano-1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 5-cyano-1-[3-(difluoromethoxy)-4-methoxy-phenyl]-2-keto-cyclohexanecarboxylic acid methyl ester Formula: C17H17F2NO5 MolecularWeight: 353.317386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CC(CCC2=O)C#N)C(=O)OC)OC(F)F

InChI

InChI=1S/C17H17F2NO5/c1-23-12-5-4-11(7-13(12)25-16(18)19)17(15(22)24-2)8-10(9-20)3-6-14(17)21/h4-5,7,10,16H,3,6,8H2,1-2H3