tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H23F3N2O5 MolecularWeight: 404.38083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H23F3N2O5/c1-17(2,3)28-16(24)22-6-4-12(5-7-22)11-27-15-9-13(18(19,20)21)8-14(10-15)23(25)26/h8-10,12H,4-7,11H2,1-3H3