| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)CC(=O)NCCCCCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O8/c18-12(15-5-3-1-2-4-13(19)20)8-9-6-10(16(22)23)14(21)11(7-9)17(24)25/h6-7,21H,1-5,8H2,(H,15,18)(H,19,20) |
| InChIKey | InChI | 1.06 | VMVJGJQEJWLDJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCNC(=O)Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCNC(=O)Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)NCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)NCCCCCC(=O)O |
