(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H18ClNO6/c21-15-7-13-10-25-12-28-20(13)14(8-15)11-27-19(24)9-22-16-3-1-2-4-17(16)26-6-5-18(22)23/h1-4,7-8H,5-6,9-12H2