(4-bromanyl-2-fluoranyl-phenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H13BrFN3O2 MolecularWeight: 378.195723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C16H13BrFN3O2/c1-9-13-5-11(7-19-15(13)21(2)20-9)16(22)23-8-10-3-4-12(17)6-14(10)18/h3-7H,8H2,1-2H3