2-oxidanylidenepropyl 3-[5-(4-bromanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: 2-oxidanylidenepropyl 3-[5-(4-bromanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: acetonyl 3-[5-(4-bromophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 3-[5-(4-bromophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 3-[5-(4-bromophenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 3-[5-(4-bromophenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid acetonyl ester Formula: C24H16BrNO6 MolecularWeight: 494.29094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H16BrNO6/c1-14(27)13-31-24(30)15-3-2-4-17(11-15)26-22(28)20-10-9-19(12-21(20)23(26)29)32-18-7-5-16(25)6-8-18/h2-12H,13H2,1H3