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

Systemtic Name: tert-butyl 4-[[2-nitro-4-(trifluoromethyl)phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-nitro-4-(trifluoromethyl)anilino]piperidine-1-carboxylate CAS Name: 4-[2-nitro-4-(trifluoromethyl)anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-nitro-4-(trifluoromethyl)anilino]piperidine-1-carboxylate Traditional Name: 4-[2-nitro-4-(trifluoromethyl)anilino]piperidine-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)N1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(24)22-8-6-12(7-9-22)21-13-5-4-11(17(18,19)20)10-14(13)23(25)26/h4-5,10,12,21H,6-9H2,1-3H3