(4-bromanyl-2-fluoranyl-phenyl)methyl 2-[7-methoxy-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-[7-methoxy-1,3-bis(oxidanylidene)-4H-isoquinolin-4-yl]ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(7-methoxy-1,3-dioxo-4H-isoquinolin-4-yl)acetate CAS Name: 2-(7-methoxy-1,3-dioxo-4H-isoquinolin-4-yl)acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(7-methoxy-1,3-dioxo-4H-isoquinolin-4-yl)acetate Traditional Name: 2-(1,3-diketo-7-methoxy-4H-isoquinolin-4-yl)acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C19H15BrFNO5 MolecularWeight: 436.228503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)NC2=O)CC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)NC2=O)CC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H15BrFNO5/c1-26-12-4-5-13-14(7-12)18(24)22-19(25)15(13)8-17(23)27-9-10-2-3-11(20)6-16(10)21/h2-7,15H,8-9H2,1H3,(H,22,24,25)