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

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)methyl 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 (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-yl)methyl 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 (5-carbomethoxy-2-furyl)methyl ester Formula: C17H15ClO7 MolecularWeight: 366.7498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H15ClO7/c1-21-17(20)13-4-3-11(25-13)9-24-16(19)10-7-12(18)15-14(8-10)22-5-2-6-23-15/h3-4,7-8H,2,5-6,9H2,1H3