[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (2-keto-1-methyl-2-p-phenetyl-ethyl) ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C3C(=C2)C(=NN3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN=C3C(=C2)C(=NN3C)C

InChI

InChI=1S/C20H21N3O4/c1-5-26-16-8-6-14(7-9-16)18(24)13(3)27-20(25)15-10-17-12(2)22-23(4)19(17)21-11-15/h6-11,13H,5H2,1-4H3