ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-5-fluoro-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C19H15BrF2N2O3 MolecularWeight: 437.234806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=C1C=CC=C2F)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=C1C=CC=C2F)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H15BrF2N2O3/c1-2-27-17(25)9-16-13-4-3-5-14(21)18(13)19(26)24(23-16)10-11-6-7-12(20)8-15(11)22/h3-8H,2,9-10H2,1H3