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

Systemtic Name: 2-[3-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(4-bromo-2-fluoro-benzyl)-5-fluoro-4-keto-phthalazin-1-yl]acetic acid Formula: C17H11BrF2N2O3 MolecularWeight: 409.181646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)C(=O)N(N=C2CC(=O)O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC2=C(C(=C1)F)C(=O)N(N=C2CC(=O)O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H11BrF2N2O3/c18-10-5-4-9(13(20)6-10)8-22-17(25)16-11(2-1-3-12(16)19)14(21-22)7-15(23)24/h1-6H,7-8H2,(H,23,24)