(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(1-methylene-3-oxo-isoindolin-2-yl)acetate CAS Name: 2-(1-methylene-3-oxo-2-isoindolyl)acetic 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-(1-methylidene-3-oxoisoindol-2-yl)acetate Traditional Name: 2-(1-keto-3-methylene-isoindolin-2-yl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H18ClNO5/c1-13-15-5-2-3-6-16(15)21(25)23(13)11-19(24)28-12-14-9-17(22)20-18(10-14)26-7-4-8-27-20/h2-3,5-6,9-10H,1,4,7-8,11-12H2