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

Systemtic Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoic acid Openeye Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoic acid CAS Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoic acid IUPAC Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propanoic acid Traditional Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]propionic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NCCC(=O)O

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NCCC(=O)O

InChI

InChI=1S/C11H12N2O6/c14-11(15)1-2-12-7-5-9-10(19-4-3-18-9)6-8(7)13(16)17/h5-6,12H,1-4H2,(H,14,15)