(4-ethanoylphenyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (4-ethanoylphenyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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 (4-acetylphenyl) ester Formula: C18H15ClO5 MolecularWeight: 346.7617

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H15ClO5/c1-11(20)12-3-5-14(6-4-12)24-18(21)13-9-15(19)17-16(10-13)22-7-2-8-23-17/h3-6,9-10H,2,7-8H2,1H3