tert-butyl 4-[3-nitro-5-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-nitro-5-(trifluoromethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-nitro-5-(trifluoromethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-nitro-5-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-nitro-5-(trifluoromethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-nitro-5-(trifluoromethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H20F3N3O5 MolecularWeight: 403.35301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O5/c1-16(2,3)28-15(25)22-6-4-21(5-7-22)14(24)11-8-12(17(18,19)20)10-13(9-11)23(26)27/h8-10H,4-7H2,1-3H3