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

Systemtic Name: ethyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-1-cyano-3-oxo-isoindolin-1-yl]-2-cyano-acetate CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1-cyano-3-oxo-1-isoindolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-bromo-2-fluorophenyl)methyl]-1-cyano-3-oxoisoindol-1-yl]-2-cyanoacetate Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C21H15BrFN3O3 MolecularWeight: 456.264503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)Br)F)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)Br)F)C#N

InChI

InChI=1S/C21H15BrFN3O3/c1-2-29-20(28)17(10-24)21(12-25)16-6-4-3-5-15(16)19(27)26(21)11-13-7-8-14(22)9-18(13)23/h3-9,17H,2,11H2,1H3