[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-2-isoindolyl)acetic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-phthalimidoacetic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H15BrN2O5/c1-11(17(24)21-13-8-6-12(20)7-9-13)27-16(23)10-22-18(25)14-4-2-3-5-15(14)19(22)26/h2-9,11H,10H2,1H3,(H,21,24)