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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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