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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-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-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-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-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H18ClN3O4/c1-10(2)23-18-13(7-21-23)6-14(11(3)22-18)19(24)25-8-12-4-15(20)17-16(5-12)26-9-27-17/h4-7,10H,8-9H2,1-3H3