| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H21N3O6/c1-13-15(22(29)20-18(27)8-5-9-19(20)28)10-11-17-21(13)25(23(30)24(17)2)12-14-6-3-4-7-16(14)26(31)32/h3-4,6-7,10-11,27H,5,8-9,12H2,1-2H3 |
| InChIKey | InChI | 1.06 | DRLROISZNNCBFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O |
| SMILES | CACTVS | 3.385 | CN1C(=O)N(Cc2ccccc2[N+]([O-])=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3[N+](=O)[O-])C(=O)C4=C(CCCC4=O)O |
