ethyl 2-[2-[(3-bromophenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-[(3-bromophenyl)methyl]-1-cyano-3-oxidanylidene-isoindol-1-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[(3-bromophenyl)methyl]-1-cyano-3-oxo-isoindolin-1-yl]-2-cyano-acetate CAS Name: 2-[2-[(3-bromophenyl)methyl]-1-cyano-3-oxo-1-isoindolyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3-bromophenyl)methyl]-1-cyano-3-oxoisoindol-1-yl]-2-cyanoacetate Traditional Name: 2-[2-(3-bromobenzyl)-1-cyano-3-keto-isoindolin-1-yl]-2-cyano-acetic acid ethyl ester Formula: C21H16BrN3O3 MolecularWeight: 438.27404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O3/c1-2-28-20(27)18(11-23)21(13-24)17-9-4-3-8-16(17)19(26)25(21)12-14-6-5-7-15(22)10-14/h3-10,18H,2,12H2,1H3