| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H14N4O8/c23-8-10-2-1-9(3-13(10)22(28)29)12-5-15(30-21-12)11-4-14(24)17(19-6-11)18(27)20-7-16(25)26/h1-6,23-24H,7-8H2,(H,20,27)(H,25,26)/q+2 |
| InChIKey | InChI | 1.06 | XQLYMNCUUWZHKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCc1ccc(cc1[N++](=O)=O)c2cc(on2)c3cnc(C(=O)NCC(O)=O)c(O)c3 |
| SMILES | CACTVS | 3.385 | OCc1ccc(cc1[N++](=O)=O)c2cc(on2)c3cnc(C(=O)NCC(O)=O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2cc(on2)c3cc(c(nc3)C(=O)NCC(=O)O)O)[N+2](=O)=O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1c2cc(on2)c3cc(c(nc3)C(=O)NCC(=O)O)O)[N+2](=O)=O)CO |
