1-(3-nitrophenyl)-2-[1-oxidanidyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]oxy-ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[1-oxidanidyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]oxy-ethanone Openeye Name: 1-(3-nitrophenyl)-2-[1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]oxy-ethanone CAS Name: 1-(3-nitrophenyl)-2-[[1-oxido-5-(trifluoromethyl)-2-pyridin-1-iumyl]oxy]ethanone IUPAC Name: 1-(3-nitrophenyl)-2-[1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]oxyethanone Traditional Name: 1-(3-nitrophenyl)-2-[1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]oxy-ethanone Formula: C14H9F3N2O5 MolecularWeight: 342.22687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC2=[N+](C=C(C=C2)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)COC2=[N+](C=C(C=C2)C(F)(F)F)[O-]

InChI

InChI=1S/C14H9F3N2O5/c15-14(16,17)10-4-5-13(18(21)7-10)24-8-12(20)9-2-1-3-11(6-9)19(22)23/h1-7H,8H2