| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc2cccc(C(=O)O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)5-4-7-2-1-3-8(6-7)12(18)19/h1-3,6H,4-5H2,(H,18,19)(H,20,21)(H2,15,16,17,22) |
| InChIKey | InChI | 1.03 | NEPNOJKMVGCINS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc(c2)C(O)=O)C(=O)NC(=O)N1 |
| SMILES | CACTVS | 3.370 | OC(=O)C1=C(CCc2cccc(c2)C(O)=O)C(=O)NC(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)C(=O)O)CCC2=C(NC(=O)NC2=O)C(=O)O |
