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

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C18H13BrFNO4 MolecularWeight: 406.202523

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H13BrFNO4/c19-13-6-5-12(15(20)8-13)10-25-17(23)9-21-16(22)7-11-3-1-2-4-14(11)18(21)24/h1-6,8H,7,9-10H2