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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C3=C(C(=CC=C3)Cl)C)C)C(=C1)C(=O)OC

Isomeric SMILES

CC1=NC2=C(C(=NN2C3=C(C(=CC=C3)Cl)C)C)C(=C1)C(=O)OC

InChI

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