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

Systemtic Name: 2-azanyl-2-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoic acid Openeye Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid CAS Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid IUPAC Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid Traditional Name: 2-amino-2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO4/c12-7-4-6(9(13)11(14)15)5-8-10(7)17-3-1-2-16-8/h4-5,9H,1-3,13H2,(H,14,15)