4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-bromanylbenzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 3-bromanylbenzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 3-bromobenzoate CAS Name: 3-bromobenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 3-bromobenzoate Traditional Name: 3-bromobenzoic acid 4-phthalimidobutyl ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCOC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrNO4/c20-14-7-5-6-13(12-14)19(24)25-11-4-3-10-21-17(22)15-8-1-2-9-16(15)18(21)23/h1-2,5-9,12H,3-4,10-11H2