(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate

Systemtic Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Openeye Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (1,3,4-trimethyl-6-pyrazolo[3,4-b]pyridinyl) ester IUPAC Name: (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) ester Formula: C15H14N4O5S MolecularWeight: 362.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5S/c1-9-7-13(16-15-14(9)10(2)17-18(15)3)24-25(22,23)12-6-4-5-11(8-12)19(20)21/h4-8H,1-3H3