| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N2O7/c20-12-3-1-2-11(15(12)21)16(22)18-14-13(26-17(14)23)8-9-4-6-10(7-5-9)19(24)25/h1-7,13-14,20-21H,8H2,(H,18,22)/t13-,14+/m1/s1 |
| InChIKey | InChI | 1.06 | AINNQKIVZOTQBB-KGLIPLIRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1O)C(=O)N[C@H]2[C@@H](Cc3ccc(cc3)[N+]([O-])=O)OC2=O |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1O)C(=O)N[CH]2[CH](Cc3ccc(cc3)[N+]([O-])=O)OC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)C(=O)N[C@H]2[C@H](OC2=O)Cc3ccc(cc3)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)O)O)C(=O)NC2C(OC2=O)Cc3ccc(cc3)[N+](=O)[O-] |
