tert-butyl 2-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-nitro-5-(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=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N2O5/c1-16(2,3)27-15(23)21-6-4-5-12(21)10-26-14-8-11(17(18,19)20)7-13(9-14)22(24)25/h7-9,12H,4-6,10H2,1-3H3