(4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl) benzoate

Systemtic Name: (4-oxidanylidene-4aH-1,2,3-benzotriazin-3-ium-3-yl) benzoate Openeye Name: (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) benzoate CAS Name: benzoic acid (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) ester IUPAC Name: (4-oxo-4aH-1,2,3-benzotriazin-3-ium-3-yl) benzoate Traditional Name: benzoic acid (4-keto-4aH-1,2,3-benzotriazin-3-ium-3-yl) ester Formula: C14H10N3O3+ MolecularWeight: 268.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O[N+]2=NN=C3C=CC=CC3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[N+]2=NN=C3C=CC=CC3C2=O

InChI

InChI=1S/C14H10N3O3/c18-13-11-8-4-5-9-12(11)15-16-17(13)20-14(19)10-6-2-1-3-7-10/h1-9,11H/q+1