| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1ccc(C=O)cc1N1CCCC(C1)OC |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O4/c1-19-11-3-2-6-14(8-11)13-7-10(9-16)4-5-12(13)15(17)18/h4-5,7,9,11H,2-3,6,8H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | JHMYUPYTCMKREX-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1CCCN(C1)c2cc(C=O)ccc2[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CO[C@H]1CCCN(C1)c2cc(ccc2[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COC1CCCN(C1)c2cc(ccc2[N+](=O)[O-])C=O |
