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

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 1,3-dimethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-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 [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 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-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C24H21N5O5 MolecularWeight: 459.45404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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