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

Systemtic Name: methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-bromo-2-fluoro-phenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-1,3-diketo-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C18H13BrFNO4 MolecularWeight: 406.202523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H13BrFNO4/c1-25-18(24)15-12-4-2-3-5-13(12)16(22)21(17(15)23)9-10-6-7-11(19)8-14(10)20/h2-8,15H,9H2,1H3