| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Oc1ccc(cc1)[N+]([O-])=O)C(C)c1cc2ccc(OC)cc2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H17NO5/c1-13(20(22)26-18-9-6-17(7-10-18)21(23)24)14-3-4-16-12-19(25-2)8-5-15(16)11-14/h3-13H,1-2H3/t13-/m0/s1 |
| InChIKey | InChI | 1.06 | ZFWYFVZPYRMVNQ-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc3ccc(cc3)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1ccc2cc(ccc2c1)[CH](C)C(=O)Oc3ccc(cc3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(c1ccc2cc(ccc2c1)OC)C(=O)Oc3ccc(cc3)[N+](=O)[O-] |
