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

Systemtic Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid Openeye Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid CAS Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid IUPAC Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid Traditional Name: 3-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CC(CC(=O)O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C12H14N2O6/c1-7(4-12(15)16)13-8-5-10-11(20-3-2-19-10)6-9(8)14(17)18/h5-7,13H,2-4H2,1H3,(H,15,16)