(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine

Systemtic Name: (6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine Openeye Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine CAS Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine IUPAC Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanamine Traditional Name: (6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamine Formula: C10H12BrNO2 MolecularWeight: 258.11178

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CN)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CN)Br)OC1

InChI

InChI=1S/C10H12BrNO2/c11-8-4-7(6-12)5-9-10(8)14-3-1-2-13-9/h4-5H,1-3,6,12H2