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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C29H23N5O6 MolecularWeight: 537.52282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)C5=CC=CC=C5

InChI

InChI=1S/C29H23N5O6/c1-18-27-22(29(36)40-17-26(35)30-24-15-21(34(37)38)13-14-25(24)39-2)16-23(19-9-5-3-6-10-19)31-28(27)33(32-18)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,30,35)