| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H15N3O4/c21-17(22)14-9-12(20(23)24)5-6-16(14)18-8-7-11-10-19-15-4-2-1-3-13(11)15/h1-6,9-10,18-19H,7-8H2,(H,21,22) |
| InChIKey | InChI | 1.03 | GOMFPMNFGUSIKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2c[nH]c3ccccc23)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2c[nH]c3ccccc23)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C(=O)O)[N+](=O)[O-] |
