N',N'-diethyl-N-(7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine hydrochloride

Systemtic Name: N',N'-diethyl-N-(7-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine hydrochloride Openeye Name: N',N'-diethyl-N-(7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine hydrochloride CAS Name: N',N'-diethyl-N-(7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine hydrochloride IUPAC Name: N',N'-diethyl-N-(7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine hydrochloride Traditional Name: diethyl-[2-[(7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl]amine hydrochloride Formula: C13H19ClN6O3 MolecularWeight: 342.78136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-].Cl

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-].Cl

InChI

InChI=1S/C13H18N6O3.ClH/c1-3-17(4-2)8-7-14-13-15-11-6-5-10(19(21)22)9-12(11)18(20)16-13;/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15,16);1H