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

Systemtic Name: 6-(3-bromanyl-4-methoxy-phenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 6-(3-bromo-4-methoxy-phenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 6-(3-bromo-4-methoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid IUPAC Name: 6-(3-bromo-4-methoxyphenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 6-(3-bromo-4-methoxy-phenyl)-3-(3-nitrophenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C20H13BrN4O5 MolecularWeight: 469.24502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=NNC(=C3C(=C2)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=NNC(=C3C(=C2)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C20H13BrN4O5/c1-30-16-6-5-10(8-14(16)21)15-9-13(20(26)27)17-18(23-24-19(17)22-15)11-3-2-4-12(7-11)25(28)29/h2-9H,1H3,(H,26,27)(H,22,23,24)