tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(6-nitrobenzotriazol-1-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(6-nitrobenzotriazol-1-yl)methyl]carbamate Openeye Name: tert-butyl N-[(tert-butoxycarbonylamino)-(6-nitrobenzotriazol-1-yl)methyl]carbamate CAS Name: N-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-(6-nitro-1-benzotriazolyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(6-nitrobenzotriazol-1-yl)methyl]carbamate Traditional Name: N-[(tert-butoxycarbonylamino)-(6-nitrobenzotriazol-1-yl)methyl]carbamic acid tert-butyl ester Formula: C17H24N6O6 MolecularWeight: 408.40906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

Isomeric SMILES

CC(C)(C)OC(=O)NC(NC(=O)OC(C)(C)C)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

InChI

InChI=1S/C17H24N6O6/c1-16(2,3)28-14(24)18-13(19-15(25)29-17(4,5)6)22-12-9-10(23(26)27)7-8-11(12)20-21-22/h7-9,13H,1-6H3,(H,18,24)(H,19,25)