7-nitro-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3,3-diamine

Systemtic Name: 7-nitro-1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3,3-diamine Openeye Name: 7-nitro-1-oxido-2H-1,2,4-benzotriazin-1-ium-3,3-diamine CAS Name: 7-nitro-1-oxido-2H-1,2,4-benzotriazin-1-ium-3,3-diamine IUPAC Name: 7-nitro-1-oxido-2H-1,2,4-benzotriazin-1-ium-3,3-diamine Traditional Name: (3-amino-7-nitro-1-oxido-2H-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C7H8N6O3 MolecularWeight: 224.17682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(N[N+](=C2C=C1[N+](=O)[O-])[O-])(N)N

Isomeric SMILES

C1=CC2=NC(N[N+](=C2C=C1[N+](=O)[O-])[O-])(N)N

InChI

InChI=1S/C7H8N6O3/c8-7(9)10-5-2-1-4(13(15)16)3-6(5)12(14)11-7/h1-3,11H,8-9H2