| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1ccc(NCCCc2ccccc2)c(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) |
| InChIKey | InChI | 1.03 | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCCc2ccccc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCNc2ccc(cc2C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCCNc2ccc(cc2C(=O)O)[N+](=O)[O-] |
