| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1C=C(NC(N1c2ccccc2O)=O)c3cc(ccc3)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3O4/c20-15-7-2-1-6-14(15)18-9-8-13(17-16(18)21)11-4-3-5-12(10-11)19(22)23/h1-8,10,20H,9H2,(H,17,21) |
| InChIKey | InChI | 1.03 | RCEFMOGVOYEGJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Oc1ccccc1N2CC=C(NC2=O)c3cccc(c3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CC=C(NC2=O)c3cccc(c3)[N+](=O)[O-])O |
