(4aR)-5-methyl-6-oxidanylidene-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate

Systemtic Name: (4aR)-5-methyl-6-oxidanylidene-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate Openeye Name: (4aR)-5-methyl-6-oxo-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate CAS Name: (4aR)-5-methyl-6-oxo-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate IUPAC Name: (4aR)-5-methyl-6-oxo-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate Traditional Name: (4aR)-6-keto-5-methyl-1,2-dihydroimidazo[4,5-e][1,2,4]triazin-4-ium-4a-carboxylate Formula: C6H7N5O3 MolecularWeight: 197.15148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)N=C2C1([NH+]=CNN2)C(=O)[O-]

Isomeric SMILES

CN1C(=O)N=C2[C@@]1([NH+]=CNN2)C(=O)[O-]

InChI

InChI=1S/C6H7N5O3/c1-11-5(14)9-3-6(11,4(12)13)7-2-8-10-3/h2H,1H3,(H,7,8)(H,12,13)(H,9,10,14)/t6-/m0/s1