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

Systemtic Name: 3-[(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13FN2O5 MolecularWeight: 356.304623

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

InChI

InChI=1S/C18H13FN2O5/c19-12-5-10(16-11(6-12)8-25-9-26-16)7-21-17(22)14-4-2-1-3-13(14)15(20-21)18(23)24/h1-6H,7-9H2,(H,23,24)