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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 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 (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 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 phthalimidomethyl ester Formula: C19H14ClNO6 MolecularWeight: 387.77056

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl)OC1

InChI

InChI=1S/C19H14ClNO6/c20-14-8-11(9-15-16(14)26-7-3-6-25-15)19(24)27-10-21-17(22)12-4-1-2-5-13(12)18(21)23/h1-2,4-5,8-9H,3,6-7,10H2