(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)C

InChI

InChI=1S/C18H16BrN3O4/c1-10-13-5-11(8-20-17(13)22(2)21-10)18(23)26-9-12-6-15-16(7-14(12)19)25-4-3-24-15/h5-8H,3-4,9H2,1-2H3