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

Systemtic Name: (2-nitrophenyl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,6-di(propan-2-yl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,6-diisopropylpyrazolo[3,4-b]pyridine-4-carboxylic acid (2-nitrobenzyl) ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4/c1-12(2)17-9-15(16-10-21-23(13(3)4)19(16)22-17)20(25)28-11-14-7-5-6-8-18(14)24(26)27/h5-10,12-13H,11H2,1-4H3