N-[[2-[3,4-bis(fluoranyl)phenoxy]pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[[2-[3,4-bis(fluoranyl)phenoxy]pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[[2-(3,4-difluorophenoxy)-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[[2-(3,4-difluorophenoxy)-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C18H13F2N3O3 MolecularWeight: 357.310926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)OC2=CC(=C(C=C2)F)F)CNC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)OC2=CC(=C(C=C2)F)F)CNC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H13F2N3O3/c19-15-4-3-14(10-16(15)20)26-18-13(2-1-7-21-18)11-22-17(24)12-5-8-23(25)9-6-12/h1-10H,11H2,(H,22,24)