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

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1,3-dimethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1,3-dimethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1,3-dimethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C21H17N5O5S MolecularWeight: 451.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C21H17N5O5S/c1-12-19-13(10-15(17-8-5-9-32-17)23-20(19)25(2)24-12)21(28)31-11-18(27)22-14-6-3-4-7-16(14)26(29)30/h3-10H,11H2,1-2H3,(H,22,27)