| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N4O4/c1-4-21-16-15(17(25)22(5-2)18(21)26)20(3)14(19-16)9-7-11-6-8-12(23)13(24)10-11/h6-10,23-24H,4-5H2,1-3H3/b9-7+ |
| InChIKey | InChI | 1.06 | GFRYELUTTBEJFS-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)N(CC)c2nc(/C=C/c3ccc(O)c(O)c3)n(C)c2C1=O |
| SMILES | CACTVS | 3.385 | CCN1C(=O)N(CC)c2nc(C=Cc3ccc(O)c(O)c3)n(C)c2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)/C=C/c3ccc(c(c3)O)O)C)C(=O)N(C1=O)CC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1c2c(n(c(n2)C=Cc3ccc(c(c3)O)O)C)C(=O)N(C1=O)CC |
