[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[5,6-bis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-[5,6-bis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(5,6-dichloro-1,3-dioxo-2-isoindolyl)acetic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(5,6-dichloro-1,3-diketo-isoindolin-2-yl)acetic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H14Cl3N3O5 MolecularWeight: 494.71196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCC#N)C(=O)COC(=O)CN2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C21H14Cl3N3O5/c22-12-3-1-4-13(7-12)26(6-2-5-25)18(28)11-32-19(29)10-27-20(30)14-8-16(23)17(24)9-15(14)21(27)31/h1,3-4,7-9H,2,6,10-11H2