| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCc1sc(cc1)c2cccc([N+]([O-])=O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCc1sc(cc1)c2cccc(c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCc1sc(cc1)c2cccc(c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16) |
| InChIKey | InChI | 1.03 | IHKCOKRMJRDWAL-UHFFFAOYSA-N |
