acetyloxymethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-1-methyl-3-oxidanylidene-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: acetyloxymethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-1-methyl-3-oxidanylidene-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: acetoxymethyl 4-(3-bromo-4-fluoro-phenyl)-1-methyl-3-oxo-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-1-methyl-3-oxo-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 4-(3-bromo-4-fluorophenyl)-1-methyl-3-oxo-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-3-keto-1-methyl-4,7-dihydro-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid acetoxymethyl ester Formula: C17H15BrFN3O5 MolecularWeight: 440.220503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C1=CNC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)NN2C

Isomeric SMILES

CC(=O)OCOC(=O)C1=CNC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)NN2C

InChI

InChI=1S/C17H15BrFN3O5/c1-8(23)26-7-27-17(25)10-6-20-15-14(16(24)21-22(15)2)13(10)9-3-4-12(19)11(18)5-9/h3-6,13,20H,7H2,1-2H3,(H,21,24)