| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3cc(NC=2C(=O)N(N=C(c1ccccc1)C=2C(C)=O)CC)ccc3C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H19N3O4/c1-3-24-20(26)19(22-16-11-9-15(10-12-16)21(27)28)17(13(2)25)18(23-24)14-7-5-4-6-8-14/h4-12,22H,3H2,1-2H3,(H,27,28) |
| InChIKey | InChI | 1.03 | HAISKEJFQSPYKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1N=C(c2ccccc2)C(=C(Nc3ccc(cc3)C(O)=O)C1=O)C(C)=O |
| SMILES | CACTVS | 3.385 | CCN1N=C(c2ccccc2)C(=C(Nc3ccc(cc3)C(O)=O)C1=O)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCN1C(=O)C(=C(C(=N1)c2ccccc2)C(=O)C)Nc3ccc(cc3)C(=O)O |
