3-oxidanylidenebutan-2-yl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 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 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 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-keto-1-methyl-propyl) ester Formula: C14H15ClO5 MolecularWeight: 298.7189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C14H15ClO5/c1-8(16)9(2)20-14(17)10-6-11(15)13-12(7-10)18-4-3-5-19-13/h6-7,9H,3-5H2,1-2H3