(4-chloranyl-2-methyl-phenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (4-chloro-2-methyl-phenyl) ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=NC3=C2C(=NN3C)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)C2=CC(=NC3=C2C(=NN3C)C)C

InChI

InChI=1S/C17H16ClN3O2/c1-9-7-12(18)5-6-14(9)23-17(22)13-8-10(2)19-16-15(13)11(3)20-21(16)4/h5-8H,1-4H3