(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-methyl-1,3-dioxo-5-isoindolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-methyl-isoindoline-5-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H16ClNO6 MolecularWeight: 401.79714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C20H16ClNO6/c1-22-18(23)13-4-3-12(9-14(13)19(22)24)20(25)28-10-11-7-15(21)17-16(8-11)26-5-2-6-27-17/h3-4,7-9H,2,5-6,10H2,1H3