[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C26H25N5O5 MolecularWeight: 487.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=C4C(=C3)C=NN4C(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=C4C(=C3)C=NN4C(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O5/c1-15(2)30-24-19(14-27-30)13-20(17(4)28-24)26(33)36-23(18-8-6-5-7-9-18)25(32)29-21-11-10-16(3)12-22(21)31(34)35/h5-15,23H,1-4H3,(H,29,32)