| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+ |
| InChIKey | InChI | 1.03 | JRURYQJSLYLRLN-BJMVGYQFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)C(=O)C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)/C#N |
| SMILES | CACTVS | 3.385 | CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN(CC)C(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C#N |