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

Systemtic Name: (4-methoxycarbonylphenyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 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-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 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-carbomethoxyphenyl) ester Formula: C18H15ClO6 MolecularWeight: 362.7611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClO6/c1-22-17(20)11-3-5-13(6-4-11)25-18(21)12-9-14(19)16-15(10-12)23-7-2-8-24-16/h3-6,9-10H,2,7-8H2,1H3