(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H10N4O4/c19-13-10-5-1-2-6-11(10)15-16-17(13)9-22-14(20)12-7-3-4-8-18(12)21/h1-8H,9H2