(3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) benzoate

Systemtic Name: (3-azanylidene-1-oxidanidyl-1,2,4-benzotriazin-1-ium-4-yl) benzoate Openeye Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) benzoate CAS Name: benzoic acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester IUPAC Name: (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) benzoate Traditional Name: benzoic acid (3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C14H10N4O3 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3[N+](=NC2=N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ON2C3=CC=CC=C3[N+](=NC2=N)[O-]

InChI

InChI=1S/C14H10N4O3/c15-14-16-18(20)12-9-5-4-8-11(12)17(14)21-13(19)10-6-2-1-3-7-10/h1-9,15H