tert-butyl 4-[4-[4-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1,2,5-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1,2,5-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(2,2,2-trichloroethoxycarbonylamino)-1,2,5-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[4-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-1,2,5-oxadiazol-3-yl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(2,2,2-trichloroethoxycarbonylamino)-1,2,5-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-(2,2,2-trichloroethoxycarbonylamino)furazan-3-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H24Cl3N5O5 MolecularWeight: 520.79406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=NON=C3NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C3=NON=C3NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C20H24Cl3N5O5/c1-19(2,3)32-18(30)28-10-8-27(9-11-28)14-6-4-13(5-7-14)15-16(26-33-25-15)24-17(29)31-12-20(21,22)23/h4-7H,8-12H2,1-3H3,(H,24,26,29)