[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C29H22N4O6 MolecularWeight: 522.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C29H22N4O6/c1-18-27-24(29(35)39-17-26(34)20-7-6-10-22(15-20)33(36)37)16-25(19-11-13-23(38-2)14-12-19)30-28(27)32(31-18)21-8-4-3-5-9-21/h3-16H,17H2,1-2H3