tert-butyl 3-[[3-nitro-5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[3-nitro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-nitro-5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[3-nitro-5-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C15H19F3N4O4 MolecularWeight: 376.33097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C=C(C=N2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)NC2=C(C=C(C=N2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H19F3N4O4/c1-14(2,3)26-13(23)21-5-4-10(8-21)20-12-11(22(24)25)6-9(7-19-12)15(16,17)18/h6-7,10H,4-5,8H2,1-3H3,(H,19,20)