2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-4-(2-isocyanato-2-oxidanylidene-ethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-4-(2-isocyanato-2-oxidanylidene-ethyl)-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-1,3-dioxo-4H-isoquinolin-4-yl]acetyl isocyanate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-4-(2-isocyanato-2-oxoethyl)-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-1,3-dioxo-4H-isoquinolin-4-yl]acetyl isocyanate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-6-fluoro-4-(2-isocyanato-2-keto-ethyl)-4H-isoquinoline-1,3-quinone Formula: C19H11BrF2N2O4 MolecularWeight: 449.202446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)N=C=O

Isomeric SMILES

C1=CC2=C(C=C1F)C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)N=C=O

InChI

InChI=1S/C19H11BrF2N2O4/c20-11-2-1-10(16(22)5-11)8-24-18(27)13-4-3-12(21)6-14(13)15(19(24)28)7-17(26)23-9-25/h1-6,15H,7-8H2