(3-nitrophenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (3-nitrophenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (3-nitrophenyl) 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(2,5-dimethyl-3-thiophenyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(2,5-dimethyl-3-thienyl)-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (3-nitrophenyl) ester Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c1-12(2)25-21-19(11-23-25)18(10-20(24-21)17-8-13(3)31-14(17)4)22(27)30-16-7-5-6-15(9-16)26(28)29/h5-12H,1-4H3