3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanoic acid Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propionic acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CNCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CNCCC(=O)O

InChI

InChI=1S/C12H14BrNO4/c13-9-6-11-10(17-3-4-18-11)5-8(9)7-14-2-1-12(15)16/h5-6,14H,1-4,7H2,(H,15,16)