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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=NC3=C2C(=NN3C)C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O5/c1-14-9-10-17(11-20(14)29(32)33)25-21(30)13-34-24(31)18-12-19(16-7-5-4-6-8-16)26-23-22(18)15(2)27-28(23)3/h4-12H,13H2,1-3H3,(H,25,30)