| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)c1ccccc1NC(=O)c1cc2cc(ccc2s1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C16H11N3O4S/c17-15(20)11-3-1-2-4-12(11)18-16(21)14-8-9-7-10(19(22)23)5-6-13(9)24-14/h1-8H,(H2,17,20)(H,18,21) |
| InChIKey | InChI | 1.06 | BTTXJIMSRRTAQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccccc1NC(=O)c2sc3ccc(cc3c2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccccc1NC(=O)c2sc3ccc(cc3c2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)N)NC(=O)c2cc3cc(ccc3s2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)N)NC(=O)c2cc3cc(ccc3s2)[N+](=O)[O-] |
