methyl 6-cyano-5-oxidanylidene-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate

Systemtic Name: methyl 6-cyano-5-oxidanylidene-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate Openeye Name: methyl 6-cyano-5-oxo-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate CAS Name: 6-cyano-5-oxo-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-cyano-5-oxo-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylate Traditional Name: 6-cyano-5-keto-1,7-diphenyl-2H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-carboxylic acid methyl ester Formula: C20H14N5O3+ MolecularWeight: 372.35686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+]2C(=O)C(=C(N=C2N(N1)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

COC(=O)C1=[N+]2C(=O)C(=C(N=C2N(N1)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C20H13N5O3/c1-28-19(27)17-23-25(14-10-6-3-7-11-14)20-22-16(13-8-4-2-5-9-13)15(12-21)18(26)24(17)20/h2-11H,1H3/p+1