methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-7-methoxy-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)C(=O)OC

InChI

InChI=1S/C19H15BrFNO5/c1-26-12-5-6-13-14(8-12)17(23)22(18(24)16(13)19(25)27-2)9-10-3-4-11(20)7-15(10)21/h3-8,16H,9H2,1-2H3