N-[[3,4-bis(fluoranyl)phenyl]methyl]-6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[3,4-bis(fluoranyl)phenyl]methyl]-6-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-chloro-N-[(3,4-difluorophenyl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-chloro-N-[(3,4-difluorophenyl)methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-chloro-N-[(3,4-difluorophenyl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-chloro-N-(3,4-difluorobenzyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C13H9ClF2N2O2 MolecularWeight: 298.672566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC(=O)C2=C[N+](=C(C=C2)Cl)[O-])F)F

Isomeric SMILES

C1=CC(=C(C=C1CNC(=O)C2=C[N+](=C(C=C2)Cl)[O-])F)F

InChI

InChI=1S/C13H9ClF2N2O2/c14-12-4-2-9(7-18(12)20)13(19)17-6-8-1-3-10(15)11(16)5-8/h1-5,7H,6H2,(H,17,19)