2-[6-[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]imino-3-cyano-1-oxidanyl-pyridin-2-yl]-N-[(2-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-[2,2-bis(fluoranyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl]imino-3-cyano-1-oxidanyl-pyridin-2-yl]-N-[(2-fluorophenyl)methyl]ethanamide Openeye Name: 2-[3-cyano-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxy-2-pyridyl]-N-[(2-fluorophenyl)methyl]acetamide CAS Name: 2-[3-cyano-6-[2,2-difluoro-2-(1-oxido-2-pyridin-1-iumyl)ethyl]imino-1-hydroxy-2-pyridinyl]-N-[(2-fluorophenyl)methyl]acetamide IUPAC Name: 2-[3-cyano-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxypyridin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide Traditional Name: 2-[3-cyano-6-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]imino-1-hydroxy-2-pyridyl]-N-(2-fluorobenzyl)acetamide Formula: C22H18F3N5O3 MolecularWeight: 457.40523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CC2=C(C=CC(=NCC(C3=CC=CC=[N+]3[O-])(F)F)N2O)C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CC2=C(C=CC(=NCC(C3=CC=CC=[N+]3[O-])(F)F)N2O)C#N)F

InChI

InChI=1S/C22H18F3N5O3/c23-17-6-2-1-5-16(17)13-27-21(31)11-18-15(12-26)8-9-20(30(18)33)28-14-22(24,25)19-7-3-4-10-29(19)32/h1-10,33H,11,13-14H2,(H,27,31)