(3-bromophenyl)methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3-bromophenyl)methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3-bromophenyl)methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3,6-trimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid (3-bromobenzyl) ester Formula: C17H16BrN3O2 MolecularWeight: 374.23184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)OCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC2=C(C(=NN2C)C)C(=C1)C(=O)OCC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O2/c1-10-7-14(15-11(2)20-21(3)16(15)19-10)17(22)23-9-12-5-4-6-13(18)8-12/h4-8H,9H2,1-3H3