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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-bromo-2-chloro-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-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C16H13BrClN3O2 MolecularWeight: 394.65032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H13BrClN3O2/c1-8-6-11(14-9(2)20-21(3)15(14)19-8)16(22)23-13-5-4-10(17)7-12(13)18/h4-7H,1-3H3