ethyl 5-oxidanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylate Openeye Name: ethyl 5-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylate CAS Name: 5-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylate Traditional Name: 5-keto-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-6-carboxylic acid ethyl ester Formula: C8H9N4O3+ MolecularWeight: 209.18206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2NNC=[N+]2C1=O

Isomeric SMILES

CCOC(=O)C1=CN=C2NNC=[N+]2C1=O

InChI

InChI=1S/C8H8N4O3/c1-2-15-7(14)5-3-9-8-11-10-4-12(8)6(5)13/h3-4H,2H2,1H3,(H,9,11,13,14)/p+1