| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O6/c19-13(10-1-4-12(5-2-10)18(21)22)8-17-16(20)11-3-6-14-15(7-11)24-9-23-14/h1-7,13,19H,8-9H2,(H,17,20)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | GNQZCOZNCNCXMO-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNC(=O)c1ccc2OCOc2c1)c3ccc(cc3)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | O[CH](CNC(=O)c1ccc2OCOc2c1)c3ccc(cc3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C(CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-] |
