(4-aminocarbonyl-2-nitro-phenyl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-propan-2-yl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-propan-2-yl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-propan-2-yl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5S/c1-12(2)26-21-16(10-24-26)15(9-17(25-21)19-4-3-7-33-19)22(29)32-11-14-6-5-13(20(23)28)8-18(14)27(30)31/h3-10,12H,11H2,1-2H3,(H2,23,28)