tert-butyl 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[2-methoxy-5-nitro-3-(trifluoromethyl)phenyl]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)C2=CC(=CC(=C2OC)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC(=C2OC)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H23F3N2O5/c1-17(2,3)28-16(24)22-7-5-11(6-8-22)13-9-12(23(25)26)10-14(15(13)27-4)18(19,20)21/h9-11H,5-8H2,1-4H3