4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3,4,5-trimethoxyphenyl)butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3,4,5-trimethoxyphenyl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(3,4,5-trimethoxyphenyl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3,4,5-trimethoxyphenyl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(3,4,5-trimethoxyphenyl)butyramide Formula: C21H21BrN2O6 MolecularWeight: 477.30524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O6/c1-28-16-10-13(11-17(29-2)19(16)30-3)23-18(25)5-4-8-24-20(26)14-7-6-12(22)9-15(14)21(24)27/h6-7,9-11H,4-5,8H2,1-3H3,(H,23,25)