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

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=NN2C(C)C)C(=C1)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5/c1-11(2)24-18-17(10-21-24)16(9-12(3)22-18)20(27)30-13(4)19(26)23-14-5-7-15(8-6-14)25(28)29/h5-11,13H,1-4H3,(H,23,26)