3-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol

Systemtic Name: 3-[(3-azanylidene-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol Openeye Name: 3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol CAS Name: 3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol IUPAC Name: 3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol Traditional Name: 3-[(4-hydroxy-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-7-yl)oxy]propane-1,2-diol Formula: C10H12N4O5 MolecularWeight: 268.22608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCC(CO)O)[N+](=NC(=N)N2O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1OCC(CO)O)[N+](=NC(=N)N2O)[O-]

InChI

InChI=1S/C10H12N4O5/c11-10-12-14(18)9-3-7(19-5-6(16)4-15)1-2-8(9)13(10)17/h1-3,6,11,15-17H,4-5H2