| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C22H22N4O4/c1-24-22(28)19(20(23-24)15-8-4-2-5-9-15)21(27)17-11-10-16(14-18(17)26(29)30)25-12-6-3-7-13-25/h2,4-5,8-11,14,23H,3,6-7,12-13H2,1H3 |
| InChIKey | InChI | 1.03 | LNOSWNGMJQWZSZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1NC(=C(C1=O)C(=O)c2ccc(cc2[N+]([O-])=O)N3CCCCC3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | CN1NC(=C(C1=O)C(=O)c2ccc(cc2[N+]([O-])=O)N3CCCCC3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(N1)c2ccccc2)C(=O)c3ccc(cc3[N+](=O)[O-])N4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(N1)c2ccccc2)C(=O)c3ccc(cc3[N+](=O)[O-])N4CCCCC4 |
