4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butyramide Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CNC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O5/c22-14-4-5-15-16(11-14)21(27)24(20(15)26)7-1-2-19(25)23-12-13-3-6-17-18(10-13)29-9-8-28-17/h3-6,10-11H,1-2,7-9,12H2,(H,23,25)