| 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)OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14N2O6/c1-23-14(21)9-4-2-3-8(7-9)5-6-10-11(13(19)20)16-15(22)17-12(10)18/h2-4,7H,5-6H2,1H3,(H,19,20)(H2,16,17,18,22) |
| InChIKey | InChI | 1.03 | RTLRPYDATNEMNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1 |
| SMILES | CACTVS | 3.370 | COC(=O)c1cccc(CCC2=C(NC(=O)NC2=O)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O |
