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

Systemtic Name: [2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanidyl-5-oxidanylidene-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate Openeye Name: [2-(4-hydroxy-3-methyl-phenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate CAS Name: carbonic acid [2-(4-hydroxy-3-methylphenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] ester IUPAC Name: [2-(4-hydroxy-3-methylphenyl)-2-oxido-5-oxo-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(4-hydroxy-3-methyl-phenyl)-5-keto-2-oxido-3,4-dihydro-1,2,4-triazin-2-ium-6-yl] ester Formula: C11H11N3O6 MolecularWeight: 281.22154

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O6/c1-6-4-7(2-3-8(6)15)14(19)5-12-9(16)10(13-14)20-11(17)18/h2-4,15H,5H2,1H3,(H,12,16)(H,17,18)