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

Systemtic Name: 4-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid Openeye Name: 4-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid CAS Name: 4-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid IUPAC Name: 4-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butanoic acid Traditional Name: 4-[methyl-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]butyric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

Isomeric SMILES

CN(CCCC(=O)O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2

InChI

InChI=1S/C13H16N2O6/c1-14(4-2-3-13(16)17)9-7-11-12(21-6-5-20-11)8-10(9)15(18)19/h7-8H,2-6H2,1H3,(H,16,17)