4-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-N-(2-oxidanyloxolan-3-yl)pentanamide

Systemtic Name: 4-methyl-2-[[4-nitro-3-(trifluoromethyl)phenyl]amino]-N-(2-oxidanyloxolan-3-yl)pentanamide Openeye Name: N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]pentanamide CAS Name: N-(2-hydroxy-3-oxolanyl)-4-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]pentanamide IUPAC Name: N-(2-hydroxyoxolan-3-yl)-4-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]pentanamide Traditional Name: N-(2-hydroxytetrahydrofuran-3-yl)-4-methyl-2-[4-nitro-3-(trifluoromethyl)anilino]valeramide Formula: C17H22F3N3O5 MolecularWeight: 405.36889

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCOC1O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)CC(C(=O)NC1CCOC1O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H22F3N3O5/c1-9(2)7-13(15(24)22-12-5-6-28-16(12)25)21-10-3-4-14(23(26)27)11(8-10)17(18,19)20/h3-4,8-9,12-13,16,21,25H,5-7H2,1-2H3,(H,22,24)