| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C18H16N4O5/c19-8-9-27-12-6-4-11(5-7-12)14-10-22(21-20-14)15-3-1-2-13(17(23)24)16(15)18(25)26/h1-7,10H,8-9,19H2,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.06 | TYDFCECEJXFCRZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOc1ccc(cc1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O |
| SMILES | CACTVS | 3.385 | NCCOc1ccc(cc1)c2cn(nn2)c3cccc(C(O)=O)c3C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)n2cc(nn2)c3ccc(cc3)OCCN)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)n2cc(nn2)c3ccc(cc3)OCCN)C(=O)O)C(=O)O |
