| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)(C(O)=O)C(Cc1ccc(cc1)[N+]([O-])=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O5/c11-9(10(14)15)8(13)5-6-1-3-7(4-2-6)12(16)17/h1-4,8-9,13H,5,11H2,(H,14,15)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | HUGPLGZGZBFEOQ-BDAKNGLRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]([C@H](O)Cc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH]([CH](O)Cc1ccc(cc1)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C[C@H]([C@@H](C(=O)O)N)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(C(C(=O)O)N)O)[N+](=O)[O-] |
