tert-butyl N,N-bis[3-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamate

Systemtic Name: tert-butyl N,N-bis[3-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamate Openeye Name: tert-butyl N,N-bis[3-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamate CAS Name: N,N-bis[3-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N,N-bis[3-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamate Traditional Name: N,N-bis[3-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]propyl]carbamic acid tert-butyl ester Formula: C25H31N9O4 MolecularWeight: 521.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNC1=NC2=CC=CC=C2[N+](=N1)[O-])CCCNC3=NC4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNC1=NC2=CC=CC=C2[N+](=N1)[O-])CCCNC3=NC4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C25H31N9O4/c1-25(2,3)38-24(35)32(16-8-14-26-22-28-18-10-4-6-12-20(18)33(36)30-22)17-9-15-27-23-29-19-11-5-7-13-21(19)34(37)31-23/h4-7,10-13H,8-9,14-17H2,1-3H3,(H,26,28,30)(H,27,29,31)