3-cyclopropyl-1-(4-fluorophenyl)-6-oxidanylidene-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Systemtic Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-oxidanylidene-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid Openeye Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid CAS Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid IUPAC Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-oxo-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid Traditional Name: 3-cyclopropyl-1-(4-fluorophenyl)-6-keto-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridine-4-carboxylic acid Formula: C16H14FN3O3 MolecularWeight: 315.299063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C3C2C(=CC(=O)N3)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1C2=NN(C3C2C(=CC(=O)N3)C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C16H14FN3O3/c17-9-3-5-10(6-4-9)20-15-13(14(19-20)8-1-2-8)11(16(22)23)7-12(21)18-15/h3-8,13,15H,1-2H2,(H,18,21)(H,22,23)