[2-(3-methyl-2-pyridin-4-yl-phenyl)-2-oxidanidyl-5-oxidanylidene-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate

Systemtic Name: [2-(3-methyl-2-pyridin-4-yl-phenyl)-2-oxidanidyl-5-oxidanylidene-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate Openeye Name: [2-[3-methyl-2-(4-pyridyl)phenyl]-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-(3-methyl-2-pyridin-4-ylphenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] ester IUPAC Name: [2-(3-methyl-2-pyridin-4-ylphenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate Traditional Name: carbonic acid [5-keto-2-[3-methyl-2-(4-pyridyl)phenyl]-2-oxido-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] ester Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+]2(CNC(=O)C(=N2)OC(=O)O)[O-])C3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+]2(CNC(=O)C(=N2)OC(=O)O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O5/c1-10-3-2-4-12(13(10)11-5-7-17-8-6-11)20(24)9-18-14(21)15(19-20)25-16(22)23/h2-8H,9H2,1H3,(H,18,21)(H,22,23)