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

Systemtic Name: N',N'-diethyl-N-(7-nitro-1-oxidanylidene-7H-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Openeye Name: N',N'-diethyl-N-(7-nitro-1-oxo-7H-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine CAS Name: N',N'-diethyl-N-(7-nitro-1-oxo-7H-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine IUPAC Name: N',N'-diethyl-N-(7-nitro-1-oxo-7H-1,2,4-benzotriazin-1-ium-3-yl)ethane-1,2-diamine Traditional Name: diethyl-[2-[(1-keto-7-nitro-7H-1,2,4-benzotriazin-1-ium-3-yl)amino]ethyl]amine Formula: C13H19N6O3+ MolecularWeight: 307.32836

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=N[N+](=O)C2=CC(C=CC2=N1)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=N[N+](=O)C2=CC(C=CC2=N1)[N+](=O)[O-]

InChI

InChI=1S/C13H19N6O3/c1-3-17(4-2)8-7-14-13-15-11-6-5-10(19(21)22)9-12(11)18(20)16-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,14,16,20)/q+1