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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-ethyl-6-thiophen-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-thiophen-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-(2-thienyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O5S/c1-3-26-21-15(11-23-26)14(10-17(25-21)19-8-5-9-33-19)22(29)32-12-20(28)24-16-6-4-7-18(13(16)2)27(30)31/h4-11H,3,12H2,1-2H3,(H,24,28)