[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O4/c1-5-24-19-16(12-22-24)15(11-17(23-19)14-9-7-6-8-10-14)20(26)27-13-18(25)28-21(2,3)4/h6-12H,5,13H2,1-4H3