| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C(=O)N=O |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C(=O)N=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O4/c1-3-9-4-6-10(7-5-9)12(17)14-11(8(2)16)13(18)15-19/h1,4-8,11,16H,2H3,(H,14,17)/t8-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | JJXZDQZGPLQGCP-KCJUWKMLSA-N |
