| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ncc(nc1)C#N)Nc3cc2ccc(C(=O)O)cc2cc3 |
| InChI | InChI | 1.03 | InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25) |
| InChIKey | InChI | 1.03 | CACMTVGXYAZZNY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc2c1cc(cc2)NC(=O)Nc3cnc(cn3)C#N)C(=O)O |
