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

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-(4-acetamido-2-fluoro-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-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H17FN4O6 MolecularWeight: 440.381283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)N)F

InChI

InChI=1S/C21H17FN4O6/c1-11(27)24-12-6-7-15(16(22)8-12)17(28)10-32-18(29)9-26-21(31)14-5-3-2-4-13(14)19(25-26)20(23)30/h2-8H,9-10H2,1H3,(H2,23,30)(H,24,27)