2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid 2-phthalimidoethyl ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl)OC1

InChI

InChI=1S/C20H16ClNO6/c21-15-10-12(11-16-17(15)27-8-3-7-26-16)20(25)28-9-6-22-18(23)13-4-1-2-5-14(13)19(22)24/h1-2,4-5,10-11H,3,6-9H2