(3,3-dimethyl-2-oxidanylidene-butyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO5/c1-21(2,3)17(24)11-28-20(27)12-4-7-14(8-5-12)23-18(25)15-9-6-13(22)10-16(15)19(23)26/h4-10H,11H2,1-3H3