(E)-3-(6-oxidanylidene-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-oxidanylidene-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(1-isopropyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6-oxo-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-oxo-1-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(1-isopropyl-6-keto-2H-pyrazolo[3,4-b]pyridin-5-yl)acrylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC(=O)C(=CC2=CN1)C=CC(=O)O

Isomeric SMILES

CC(C)N1C2=NC(=O)C(=CC2=CN1)/C=C/C(=O)O

InChI

InChI=1S/C12H13N3O3/c1-7(2)15-11-9(6-13-15)5-8(12(18)14-11)3-4-10(16)17/h3-7,13H,1-2H3,(H,16,17)/b4-3+