1,2,4-benzotriazine; 1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one

Systemtic Name: 1,2,4-benzotriazine; 1-oxidanidyl-2H-1,2,4-benzotriazin-1-ium-3-one Openeye Name: 1,2,4-benzotriazine; 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one CAS Name: 1,2,4-benzotriazine; 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one IUPAC Name: 1,2,4-benzotriazine; 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Traditional Name: 1,2,4-benzotriazine; 1-oxido-2H-1,2,4-benzotriazin-1-ium-3-one Formula: C14H10N6O2 MolecularWeight: 294.2682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN=N2.C1=CC2=NC(=O)N[N+](=C2C=C1)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=CN=N2.C1=CC2=NC(=O)N[N+](=C2C=C1)[O-]

InChI

InChI=1S/C7H5N3O2.C7H5N3/c11-7-8-5-3-1-2-4-6(5)10(12)9-7;1-2-4-7-6(3-1)8-5-9-10-7/h1-4H,(H,8,9,11);1-5H