| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | UIAGMCDKSXEBJQ-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C |
| SMILES | CACTVS | 3.385 | COCCOC(=O)C1=C(C)NC(=C([CH]1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC1=C([C@@H](C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC |
| SMILES | OpenEye OEToolkits | 2.0.5 | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC |
