3-[6-oxidanylidene-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate

Systemtic Name: 3-[6-oxidanylidene-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate Openeye Name: 3-[2-isopropyl-6-oxo-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate CAS Name: 3-[6-oxo-2-propan-2-yl-4-(trifluoromethyl)-7-pyrazolo[3,4-b]pyridinyl]propanoate IUPAC Name: 3-[6-oxo-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propanoate Traditional Name: 3-[2-isopropyl-6-keto-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-7-yl]propionate Formula: C13H13F3N3O3- MolecularWeight: 316.25583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C2C(=CC(=O)N(C2=N1)CCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)N1C=C2C(=CC(=O)N(C2=N1)CCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3/c1-7(2)19-6-8-9(13(14,15)16)5-10(20)18(12(8)17-19)4-3-11(21)22/h5-7H,3-4H2,1-2H3,(H,21,22)/p-1