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

Systemtic Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[3-nitro-5-(trifluoromethyl)benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H22F3N3O4 MolecularWeight: 389.36949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(24)22-6-4-21(5-7-22)11-12-8-13(17(18,19)20)10-14(9-12)23(25)26/h8-10H,4-7,11H2,1-3H3