1H-1,3,5-benzotriazepine-2,4-diamine; bis(oxidanyl)-oxidanylidene-azanium

Systemtic Name: 1H-1,3,5-benzotriazepine-2,4-diamine; bis(oxidanyl)-oxidanylidene-azanium Openeye Name: 1H-1,3,5-benzotriazepine-2,4-diamine; dihydroxy(oxo)ammonium CAS Name: 1H-1,3,5-benzotriazepine-2,4-diamine; dihydroxy(oxo)ammonium IUPAC Name: 1H-1,3,5-benzotriazepine-2,4-diamine; dihydroxy(oxo)azanium Traditional Name: (2-amino-1H-1,3,5-benzotriazepin-4-yl)amine; dihydroxy(keto)ammonium Formula: C8H11N6O3+ MolecularWeight: 239.21134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NC(=N2)N)N.[N+](=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NC(=N2)N)N.[N+](=O)(O)O

InChI

InChI=1S/C8H9N5.H2NO3/c9-7-11-5-3-1-2-4-6(5)12-8(10)13-7;2-1(3)4/h1-4H,(H5,9,10,11,12,13);(H2,2,3,4)/q;+1