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

Systemtic Name: methyl 5-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-5-cyano-cyclohexene-1-carboxylate Openeye Name: methyl 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-cyclohexene-1-carboxylate CAS Name: 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyanocyclohexene-1-carboxylate Traditional Name: 5-[3,4-bis(difluoromethoxy)phenyl]-5-cyano-cyclohexene-1-carboxylic acid methyl ester Formula: C17H15F4NO4 MolecularWeight: 373.298913

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCCC(C1)(C#N)C2=CC(=C(C=C2)OC(F)F)OC(F)F

Isomeric SMILES

COC(=O)C1=CCCC(C1)(C#N)C2=CC(=C(C=C2)OC(F)F)OC(F)F

InChI

InChI=1S/C17H15F4NO4/c1-24-14(23)10-3-2-6-17(8-10,9-22)11-4-5-12(25-15(18)19)13(7-11)26-16(20)21/h3-5,7,15-16H,2,6,8H2,1H3