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

Systemtic Name: 2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-oxidanylidene-2,3-dihydrophthalazin-1-yl]ethanoic acid Openeye Name: 2-[1-[(4-bromo-2-fluoro-phenyl)methyl]-4-oxo-2,3-dihydrophthalazin-1-yl]acetic acid CAS Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-2,3-dihydrophthalazin-1-yl]acetic acid IUPAC Name: 2-[1-[(4-bromo-2-fluorophenyl)methyl]-4-oxo-2,3-dihydrophthalazin-1-yl]acetic acid Traditional Name: 2-[1-(4-bromo-2-fluoro-benzyl)-4-keto-2,3-dihydrophthalazin-1-yl]acetic acid Formula: C17H14BrFN2O3 MolecularWeight: 393.207063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NNC2(CC3=C(C=C(C=C3)Br)F)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NNC2(CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChI

InChI=1S/C17H14BrFN2O3/c18-11-6-5-10(14(19)7-11)8-17(9-15(22)23)13-4-2-1-3-12(13)16(24)20-21-17/h1-7,21H,8-9H2,(H,20,24)(H,22,23)