| 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\c1cccc(C(=O)O)c1)=CC(=O)N2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cccc(/C=N/OCCO\N=C\C2=CC(=O)NC(=O)N2)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)O)\C=N\OCCO/N=C/C2=CC(=O)NC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N4O6/c20-13-7-12(18-15(23)19-13)9-17-25-5-4-24-16-8-10-2-1-3-11(6-10)14(21)22/h1-3,6-9H,4-5H2,(H,21,22)(H2,18,19,20,23)/b16-8+,17-9+ |
| InChIKey | InChI | 1.03 | TUYDQQMKXSQIQG-GONBZBRSSA-N |
