methyl 3-(4-bromophenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-(4-bromophenyl)-6-(2-methoxy-2-oxidanylidene-ethyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 3-(4-bromophenyl)-6-(2-methoxy-2-oxo-ethyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 3-(4-bromophenyl)-6-(2-methoxy-2-oxoethyl)-1-phenyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-6-(2-methoxy-2-oxoethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 3-(4-bromophenyl)-6-(2-keto-2-methoxy-ethyl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C23H18BrN3O4 MolecularWeight: 480.31072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

COC(=O)CC1=C(C=C2C(=NN(C2=N1)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C23H18BrN3O4/c1-30-20(28)13-19-17(23(29)31-2)12-18-21(14-8-10-15(24)11-9-14)26-27(22(18)25-19)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3