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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 6-cyclopropyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-cyclopropyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 6-cyclopropyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-cyclopropyl-1-isopropyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)OCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H23N5O6/c1-12(2)26-21-16(10-23-26)15(9-18(25-21)13-4-5-13)22(29)33-11-20(28)24-17-7-6-14(27(30)31)8-19(17)32-3/h6-10,12-13H,4-5,11H2,1-3H3,(H,24,28)