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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-3-methyl-pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C18H13N4O4- MolecularWeight: 349.32022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)[O-])CCC#N

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)[O-])CCC#N

InChI

InChI=1S/C18H14N4O4/c1-10-16-12(18(23)24)8-13(20-17(16)22(21-10)6-2-5-19)11-3-4-14-15(7-11)26-9-25-14/h3-4,7-8H,2,6,9H2,1H3,(H,23,24)/p-1