tert-butyl 4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[4-nitro-2-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H20F3N3O4 MolecularWeight: 375.34291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H20F3N3O4/c1-15(2,3)26-14(23)21-8-6-20(7-9-21)13-5-4-11(22(24)25)10-12(13)16(17,18)19/h4-5,10H,6-9H2,1-3H3