ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-6-chloro-1-cyano-3-oxo-isoindolin-1-yl]-2-cyano-acetate CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-1-cyano-3-oxo-1-isoindolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-bromo-2-fluorophenyl)methyl]-6-chloro-1-cyano-3-oxoisoindol-1-yl]-2-cyanoacetate Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-6-chloro-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C21H14BrClFN3O3 MolecularWeight: 490.709563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=C(C=CC(=C2)Cl)C(=O)N1CC3=C(C=C(C=C3)Br)F)C#N

InChI

InChI=1S/C21H14BrClFN3O3/c1-2-30-20(29)17(9-25)21(11-26)16-8-14(23)5-6-15(16)19(28)27(21)10-12-3-4-13(22)7-18(12)24/h3-8,17H,2,10H2,1H3