(4-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate

Systemtic Name: (4-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Openeye Name: (1-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (4-methyl-1-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (4-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (1-isopropyl-4-methyl-pyrazolo[3,4-b]pyridin-6-yl) ester Formula: C16H16N4O5S MolecularWeight: 376.38704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=NN2C(C)C)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=C1C=NN2C(C)C)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O5S/c1-10(2)19-16-14(9-17-19)11(3)7-15(18-16)25-26(23,24)13-6-4-5-12(8-13)20(21)22/h4-10H,1-3H3