tert-butyl 2-[5-nitro-2-[4-(trifluoromethyloxy)phenoxy]phenyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[5-nitro-2-[4-(trifluoromethyloxy)phenoxy]phenyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[5-nitro-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine-1-carboxylate CAS Name: 2-[5-nitro-2-[4-(trifluoromethoxy)phenoxy]phenyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-nitro-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[5-nitro-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H23F3N2O6 MolecularWeight: 468.42303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H23F3N2O6/c1-21(2,3)33-20(28)26-12-4-5-18(26)17-13-14(27(29)30)6-11-19(17)31-15-7-9-16(10-8-15)32-22(23,24)25/h6-11,13,18H,4-5,12H2,1-3H3