| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C2NC(\C=N\OCCO\N=C\c1ccc(C(=O)O)cc1)=CC(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)\C=N\OCCO\N=C\C2=CC(=O)NC(=O)N2 |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)C=NOCCON=CC2=CC(=O)NC(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=NOCCON=CC2=CC(=O)NC(=O)N2)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-6-5-24-16-8-10-1-3-11(4-2-10)14(21)22/h1-4,7-9H,5-6H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+ |
| InChIKey | InChI | 1.03 | XHDKIDMFBWLHAX-GONBZBRSSA-N |
