(2-bromanyl-4-cyano-6-ethoxy-phenyl) 6-(furan-2-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 6-(furan-2-yl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 6-(2-furyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2-furanyl)-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 6-(furan-2-yl)-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2-furyl)-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C22H17BrN4O4 MolecularWeight: 481.29878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CO4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CO4

InChI

InChI=1S/C22H17BrN4O4/c1-4-29-18-9-13(11-24)8-15(23)20(18)31-22(28)14-10-16(17-6-5-7-30-17)25-21-19(14)12(2)26-27(21)3/h5-10H,4H2,1-3H3