[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C20H16FN3O6 MolecularWeight: 413.355943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

InChI

InChI=1S/C20H16FN3O6/c1-29-16-7-6-11(8-14(16)21)15(25)10-30-17(26)9-24-20(28)13-5-3-2-4-12(13)18(23-24)19(22)27/h2-8H,9-10H2,1H3,(H2,22,27)