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

Systemtic Name: (2-bromophenyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-bromophenyl) 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 (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 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-bromophenyl) ester Formula: C16H12BrClO4 MolecularWeight: 383.62108

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC=CC=C3Br)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OC3=CC=CC=C3Br)Cl)OC1

InChI

InChI=1S/C16H12BrClO4/c17-11-4-1-2-5-13(11)22-16(19)10-8-12(18)15-14(9-10)20-6-3-7-21-15/h1-2,4-5,8-9H,3,6-7H2