(4E)-4-[3-[2-methyl-1-oxidanidyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-2H-1,2,4-oxadiazol-5-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[3-[2-methyl-1-oxidanidyl-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-2H-1,2,4-oxadiazol-5-ylidene]-2-nitro-6-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-2-hydroxy-4-[3-[2-methyl-1-oxido-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-2H-1,2,4-oxadiazol-5-ylidene]-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: (4E)-2-hydroxy-4-[3-[2-methyl-1-oxido-6-phenyl-4-(trifluoromethyl)-3-pyridin-1-iumyl]-2H-1,2,4-oxadiazol-5-ylidene]-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-2-hydroxy-4-[3-[2-methyl-1-oxido-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-2H-1,2,4-oxadiazol-5-ylidene]-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: (4E)-2-hydroxy-4-[3-[2-methyl-1-oxido-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-2H-1,2,4-oxadiazol-5-ylidene]-6-nitro-cyclohexa-2,5-dien-1-one Formula: C21H13F3N4O6 MolecularWeight: 474.34633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=[N+]1[O-])C2=CC=CC=C2)C(F)(F)F)C3=NC(=C4C=C(C(=O)C(=C4)O)[N+](=O)[O-])ON3

Isomeric SMILES

CC1=C(C(=CC(=[N+]1[O-])C2=CC=CC=C2)C(F)(F)F)C3=N/C(=C\4/C=C(C(=O)C(=C4)O)[N+](=O)[O-])/ON3

InChI

InChI=1S/C21H13F3N4O6/c1-10-17(13(21(22,23)24)9-14(27(10)31)11-5-3-2-4-6-11)19-25-20(34-26-19)12-7-15(28(32)33)18(30)16(29)8-12/h2-9,29H,1H3,(H,25,26)/b20-12+