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

Systemtic Name: 2-azanyl-3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid Openeye Name: 2-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid CAS Name: 2-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid IUPAC Name: 2-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid Traditional Name: 2-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(C(=O)O)N)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(C(=O)O)N)Br)OC1

InChI

InChI=1S/C12H14BrNO4/c13-8-4-7(5-9(14)12(15)16)6-10-11(8)18-3-1-2-17-10/h4,6,9H,1-3,5,14H2,(H,15,16)