3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C24H17FN2O5 MolecularWeight: 432.400583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C(=N4)C(=O)O)F

InChI

InChI=1S/C24H17FN2O5/c25-17-10-15(21-16(11-17)13-31-24(32-21)14-6-2-1-3-7-14)12-27-22(28)19-9-5-4-8-18(19)20(26-27)23(29)30/h1-11,24H,12-13H2,(H,29,30)