| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N)CN(C(=O)c2nc(c1ccccc1)nc2C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.352 | CN(CC(N)=O)C(=O)c1nc([nH]c1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H14N4O4/c1-18(7-9(15)19)13(20)10-11(14(21)22)17-12(16-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,15,19)(H,16,17)(H,21,22) |
| InChIKey | InChI | 1.03 | IKAWXRIWROBKBL-UHFFFAOYSA-N |
