4-(3-fluoranyl-4-nitro-phenyl)-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide

Systemtic Name: 4-(3-fluoranyl-4-nitro-phenyl)-4-methyl-2-oxidanyl-N-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide Openeye Name: 4-(3-fluoro-4-nitro-phenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(trifluoromethyl)pentanamide CAS Name: 4-(3-fluoro-4-nitrophenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-isobenzofuran-5-yl)-2-(trifluoromethyl)pentanamide IUPAC Name: 4-(3-fluoro-4-nitrophenyl)-2-hydroxy-4-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(trifluoromethyl)pentanamide Traditional Name: 4-(3-fluoro-4-nitro-phenyl)-2-hydroxy-N-(1-ketophthalan-5-yl)-4-methyl-2-(trifluoromethyl)valeramide Formula: C21H18F4N2O6 MolecularWeight: 470.371033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=CC(=C(C=C3)[N+](=O)[O-])F

Isomeric SMILES

CC(C)(CC(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)(C(F)(F)F)O)C3=CC(=C(C=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H18F4N2O6/c1-19(2,12-3-6-16(27(31)32)15(22)8-12)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-33-17(14)28/h3-8,30H,9-10H2,1-2H3,(H,26,29)