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

Systemtic Name: ethyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[(2-chloro-6-fluoro-phenyl)methyl]-1-cyano-3-oxo-isoindolin-1-yl]-2-cyano-acetate CAS Name: 2-[2-[(2-chloro-6-fluorophenyl)methyl]-1-cyano-3-oxo-1-isoindolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-chloro-6-fluorophenyl)methyl]-1-cyano-3-oxoisoindol-1-yl]-2-cyanoacetate Traditional Name: 2-[2-(2-chloro-6-fluoro-benzyl)-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C21H15ClFN3O3 MolecularWeight: 411.813503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=C(C=CC=C3Cl)F)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2C(=O)N1CC3=C(C=CC=C3Cl)F)C#N

InChI

InChI=1S/C21H15ClFN3O3/c1-2-29-20(28)16(10-24)21(12-25)15-7-4-3-6-13(15)19(27)26(21)11-14-17(22)8-5-9-18(14)23/h3-9,16H,2,11H2,1H3