| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | O=C(NC(C(=O)O)Cc2nc1ccccc1n2)c3c(occ3)C |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1occc1C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(O)=O |
| SMILES | CACTVS | 3.352 | Cc1occc1C(=O)N[CH](Cc2[nH]c3ccccc3n2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(cco1)C(=O)NC(Cc2[nH]c3ccccc3n2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O4/c1-9-10(6-7-23-9)15(20)19-13(16(21)22)8-14-17-11-4-2-3-5-12(11)18-14/h2-7,13H,8H2,1H3,(H,17,18)(H,19,20)(H,21,22)/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | IBXZTXVMQARJHH-CYBMUJFWSA-N |
