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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c15-12(16)2-1-3-13-8-6-10-11(20-5-4-19-10)7-9(8)14(17)18/h6-7,13H,1-5H2,(H,15,16)