3-[2,4-bis(bromanyl)phenoxy]azepan-2-one

Systemtic Name: 3-[2,4-bis(bromanyl)phenoxy]azepan-2-one Openeye Name: 3-(2,4-dibromophenoxy)azepan-2-one CAS Name: 3-(2,4-dibromophenoxy)-2-azepanone IUPAC Name: 3-(2,4-dibromophenoxy)azepan-2-one Traditional Name: 3-(2,4-dibromophenoxy)azepan-2-one Formula: C12H13Br2NO2 MolecularWeight: 363.04512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C12H13Br2NO2/c13-8-4-5-10(9(14)7-8)17-11-3-1-2-6-15-12(11)16/h4-5,7,11H,1-3,6H2,(H,15,16)