tert-butyl 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H19F3N4O6 MolecularWeight: 420.34047

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N4O6/c1-15(2,3)29-14(24)21-6-4-20(5-7-21)13-11(22(25)26)8-10(16(17,18)19)9-12(13)23(27)28/h8-9H,4-7H2,1-3H3