(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H18BrN3O4 MolecularWeight: 456.28932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C21H18BrN3O4/c1-11(2)25-20-13(9-23-25)6-17(12(3)24-20)21(27)28-10-14-7-19(26)29-18-8-15(22)4-5-16(14)18/h4-9,11H,10H2,1-3H3