methyl 5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridine-2-carboxylate Openeye Name: methyl 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridine-2-carboxylate CAS Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridine-2-carboxylate Traditional Name: 5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]picolinic acid methyl ester Formula: C22H18F4N2O5 MolecularWeight: 466.382333

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F

InChI

InChI=1S/C22H18F4N2O5/c1-31-20(29)17-4-2-15(12-27-17)16(10-13-6-8-28(30)9-7-13)14-3-5-18(32-21(23)24)19(11-14)33-22(25)26/h2-9,11-12,16,21-22H,10H2,1H3