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

Systemtic Name: methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-5-fluoranyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-bromo-2-fluoro-phenyl)methyl]-5-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-fluorophenyl)methyl]-5-fluoro-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-5-fluoro-1,3-diketo-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C18H12BrF2NO4 MolecularWeight: 424.192986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=C(C=CC=C2F)C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1C2=C(C=CC=C2F)C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H12BrF2NO4/c1-26-18(25)15-14-11(3-2-4-12(14)20)16(23)22(17(15)24)8-9-5-6-10(19)7-13(9)21/h2-7,15H,8H2,1H3