methyl (E)-3-(4-bromanyl-7-fluoranyl-3-phenyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate

Systemtic Name: methyl (E)-3-(4-bromanyl-7-fluoranyl-3-phenyl-isoquinolin-2-ium-2-yl)-4-methoxy-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-3-(4-bromo-7-fluoro-3-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxo-but-3-enoate CAS Name: (E)-3-(4-bromo-7-fluoro-3-phenyl-2-isoquinolin-2-iumyl)-4-hydroxy-4-methoxy-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-bromo-7-fluoro-3-phenylisoquinolin-2-ium-2-yl)-4-hydroxy-4-methoxy-2-oxobut-3-enoate Traditional Name: (E)-3-(4-bromo-7-fluoro-3-phenyl-isoquinolin-2-ium-2-yl)-4-hydroxy-2-keto-4-methoxy-but-3-enoic acid methyl ester Formula: C21H16BrFNO5+ MolecularWeight: 461.257843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C(=O)C(=O)OC)[N+]1=C(C(=C2C=CC(=CC2=C1)F)Br)C3=CC=CC=C3)O

Isomeric SMILES

CO/C(=C(\C(=O)C(=O)OC)/[N+]1=C(C(=C2C=CC(=CC2=C1)F)Br)C3=CC=CC=C3)/O

InChI

InChI=1S/C21H15BrFNO5/c1-28-20(26)18(19(25)21(27)29-2)24-11-13-10-14(23)8-9-15(13)16(22)17(24)12-6-4-3-5-7-12/h3-11H,1-2H3/p+1