2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-1,3-dioxo-4H-isoquinolin-4-yl]acetic acid Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-6-fluoro-1,3-diketo-4H-isoquinolin-4-yl]acetic acid Formula: C18H12BrF2NO4 MolecularWeight: 424.192986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChI

InChI=1S/C18H12BrF2NO4/c19-10-2-1-9(15(21)5-10)8-22-17(25)12-4-3-11(20)6-13(12)14(18(22)26)7-16(23)24/h1-6,14H,7-8H2,(H,23,24)