2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-4-(2-isocyanato-2-oxidanylidene-ethyl)-3-oxidanyl-isoquinolin-1-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-fluoranyl-4-(2-isocyanato-2-oxidanylidene-ethyl)-3-oxidanyl-isoquinolin-1-one Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-fluoro-3-hydroxy-1-oxo-4-isoquinolyl]acetyl isocyanate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-3-hydroxy-4-(2-isocyanato-2-oxoethyl)-1-isoquinolinone IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-3-hydroxy-1-oxoisoquinolin-4-yl]acetyl isocyanate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-6-fluoro-3-hydroxy-4-(2-isocyanato-2-keto-ethyl)isocarbostyril Formula: C19H11BrF2N2O4 MolecularWeight: 449.202446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC2=C(C=C1F)C(=C(N(C2=O)CC3=C(C=C(C=C3)Br)F)O)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/h1-6,28H,7-8H2