| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1ccc(NCCc2c[NH]c3cc(Cl)ccc32)c(c1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H14ClN3O4/c18-11-1-3-13-10(9-20-16(13)7-11)5-6-19-15-4-2-12(21(24)25)8-14(15)17(22)23/h1-4,7-9,19-20H,5-6H2,(H,22,23) |
| InChIKey | InChI | 1.03 | JCNRABRCNDRGFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2c[nH]c3cc(Cl)ccc23)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1NCCc2c[nH]c3cc(Cl)ccc23)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCc2c[nH]c3c2ccc(c3)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCc2c[nH]c3c2ccc(c3)Cl |
