| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(N(C)C)c2cc(Oc1cc(C(C)O)ccc1NO)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C17H20N2O4/c1-11(20)12-7-8-15(18-22)16(10-12)23-14-6-4-5-13(9-14)17(21)19(2)3/h4-11,18,20,22H,1-3H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | YIOUWEBZKIOOOI-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1 |
| SMILES | CACTVS | 3.385 | C[CH](O)c1ccc(NO)c(Oc2cccc(c2)C(=O)N(C)C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@@H](c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(c1ccc(c(c1)Oc2cccc(c2)C(=O)N(C)C)NO)O |
