| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)c2nc(cnc2N)c3cccc(O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C17H13N3O3/c18-16-15(10-4-6-11(7-5-10)17(22)23)20-14(9-19-16)12-2-1-3-13(21)8-12/h1-9,21H,(H2,18,19)(H,22,23) |
| InChIKey | InChI | 1.03 | SMCZWNHNLRIBBG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ncc(nc1c2ccc(cc2)C(O)=O)c3cccc(O)c3 |
| SMILES | CACTVS | 3.385 | Nc1ncc(nc1c2ccc(cc2)C(O)=O)c3cccc(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N |
