methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-3-oxidanylidene-2-phenyl-4-(phenylmethyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylate

Systemtic Name: methyl 5-(2-methoxy-2-oxidanylidene-ethanoyl)-3-oxidanylidene-2-phenyl-4-(phenylmethyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylate Openeye Name: methyl 4-benzyl-5-(2-methoxy-2-oxo-acetyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate CAS Name: 5-(2-methoxy-1,2-dioxoethyl)-3-oxo-2-phenyl-4-(phenylmethyl)-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-benzyl-5-(2-methoxy-2-oxoacetyl)-3-oxo-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylate Traditional Name: 4-benzyl-3-keto-5-methoxalyl-2-phenyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid methyl ester Formula: C24H19N3O6 MolecularWeight: 445.42416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2C(=N1)NN(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=C2C(=N1)NN(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C(=O)OC

InChI

InChI=1S/C24H19N3O6/c1-32-23(30)19-17(20(28)24(31)33-2)16(13-14-9-5-3-6-10-14)18-21(25-19)26-27(22(18)29)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3,(H,25,26)