| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)(C)c1ccc(cc1)C1=Nc2c(cccc2[N+]([O-])=O)C(=O)N1 |
| InChI | InChI | 1.06 | InChI=1S/C18H17N3O3/c1-18(2,3)12-9-7-11(8-10-12)16-19-15-13(17(22)20-16)5-4-6-14(15)21(23)24/h4-10H,1-3H3,(H,19,20,22) |
| InChIKey | InChI | 1.06 | ODVNULDGCIKONH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3[N+]([O-])=O)C(=O)N2 |
| SMILES | CACTVS | 3.385 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3[N+]([O-])=O)C(=O)N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3[N+](=O)[O-])C(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C)c1ccc(cc1)C2=Nc3c(cccc3[N+](=O)[O-])C(=O)N2 |
