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

Systemtic Name: (2R)-2-(5-chloranyl-1-ethyl-3,4-dimethyl-6-oxidanylidene-pyrazolo[3,4-b]pyridin-7-yl)propanoate Openeye Name: (2R)-2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxo-pyrazolo[3,4-b]pyridin-7-yl)propanoate CAS Name: (2R)-2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxo-7-pyrazolo[3,4-b]pyridinyl)propanoate IUPAC Name: (2R)-2-(5-chloro-1-ethyl-3,4-dimethyl-6-oxopyrazolo[3,4-b]pyridin-7-yl)propanoate Traditional Name: (2R)-2-(5-chloro-1-ethyl-6-keto-3,4-dimethyl-pyrazolo[3,4-b]pyridin-7-yl)propionate Formula: C13H15ClN3O3- MolecularWeight: 296.7295

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C(=O)N2C(C)C(=O)[O-])Cl)C)C(=N1)C

Isomeric SMILES

CCN1C2=C(C(=C(C(=O)N2[C@H](C)C(=O)[O-])Cl)C)C(=N1)C

InChI

InChI=1S/C13H16ClN3O3/c1-5-16-11-9(7(3)15-16)6(2)10(14)12(18)17(11)8(4)13(19)20/h8H,5H2,1-4H3,(H,19,20)/p-1/t8-/m1/s1