| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(c(OC)cc1)Cn3c2cc(ccc2c(c3)CC(=O)O)c4cc(N)cc(N)c4 |
| InChI | InChI | 1.03 | InChI=1S/C24H22N4O5/c1-33-23-5-3-20(28(31)32)8-17(23)13-27-12-16(10-24(29)30)21-4-2-14(9-22(21)27)15-6-18(25)11-19(26)7-15/h2-9,11-12H,10,13,25-26H2,1H3,(H,29,30) |
| InChIKey | InChI | 1.03 | TWAXPCWGTXLAOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1Cn2cc(CC(O)=O)c3ccc(cc23)c4cc(N)cc(N)c4)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1Cn2cc(CC(O)=O)c3ccc(cc23)c4cc(N)cc(N)c4)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-] |
