6-(5-bromanyl-2-methoxy-phenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 6-(5-bromanyl-2-methoxy-phenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 6-(5-bromo-2-methoxy-phenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 6-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid IUPAC Name: 6-(5-bromo-2-methoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 6-(5-bromo-2-methoxy-phenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C(=CC(=NC3=NN2)C4=C(C=CC(=C4)Br)OC)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C(=CC(=NC3=NN2)C4=C(C=CC(=C4)Br)OC)C(=O)O

InChI

InChI=1S/C21H16BrN3O4/c1-28-13-6-3-11(4-7-13)19-18-15(21(26)27)10-16(23-20(18)25-24-19)14-9-12(22)5-8-17(14)29-2/h3-10H,1-2H3,(H,26,27)(H,23,24,25)