methyl 1,3,6-tris(oxidanylidene)-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate

Systemtic Name: methyl 1,3,6-tris(oxidanylidene)-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate Openeye Name: methyl 1,3,6-trioxo-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate CAS Name: 1,3,6-trioxo-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylic acid methyl ester IUPAC Name: methyl 1,3,6-trioxo-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate Traditional Name: 1,3,6-triketo-2-phenyl-5H-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylic acid methyl ester Formula: C14H11N3O5 MolecularWeight: 301.25424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)CN2N1C(=O)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=O)CN2N1C(=O)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C14H11N3O5/c1-22-12(19)11-7-10(18)8-15-13(20)16(14(21)17(11)15)9-5-3-2-4-6-9/h2-7H,8H2,1H3