2-(5-chloranyl-1-ethyl-3,4-dimethyl-6-oxidanylidene-pyrazolo[3,4-b]pyridin-7-yl)ethanoate

Systemtic Name: 2-(5-chloranyl-1-ethyl-3,4-dimethyl-6-oxidanylidene-pyrazolo[3,4-b]pyridin-7-yl)ethanoate Openeye Name: 2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxo-pyrazolo[3,4-b]pyridin-7-yl)acetate CAS Name: 2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxo-7-pyrazolo[3,4-b]pyridinyl)acetate IUPAC Name: 2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)acetate Traditional Name: 2-(5-chloro-1-ethyl-6-keto-3,4-dimethyl-pyrazolo[3,4-b]pyridin-7-yl)acetate Formula: C12H13ClN3O3- MolecularWeight: 282.70292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=O)N2CC(=O)[O-])Cl)C)C(=N1)C

Isomeric SMILES

CCN1C2=C(C(=C(C(=O)N2CC(=O)[O-])Cl)C)C(=N1)C

InChI

InChI=1S/C12H14ClN3O3/c1-4-16-11-9(7(3)14-16)6(2)10(13)12(19)15(11)5-8(17)18/h4-5H2,1-3H3,(H,17,18)/p-1