tert-butyl (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[5-nitro-2-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21F3N2O5 MolecularWeight: 390.35425

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1COC2=C(C=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H]1COC2=C(C=CC(=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H21F3N2O5/c1-16(2,3)27-15(23)21-8-4-5-12(21)10-26-14-9-11(22(24)25)6-7-13(14)17(18,19)20/h6-7,9,12H,4-5,8,10H2,1-3H3/t12-/m1/s1