methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-6-methoxy-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-6-methoxy-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-6-methoxy-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-6-methoxy-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-6-methoxy-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-5-fluoro-1,3-diketo-6-methoxy-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C19H14BrF2NO5 MolecularWeight: 454.218966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)N(C(=O)C2C(=O)OC)CC3=C(C=C(C=C3)Br)F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)N(C(=O)C2C(=O)OC)CC3=C(C=C(C=C3)Br)F)F

InChI

InChI=1S/C19H14BrF2NO5/c1-27-13-6-5-11-14(16(13)22)15(19(26)28-2)18(25)23(17(11)24)8-9-3-4-10(20)7-12(9)21/h3-7,15H,8H2,1-2H3