| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H9N3O3.C5H.CO.Os/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1H;;/q;;+1;+2/p-1 |
| InChIKey | InChI | 1.06 | PAWFNOQPRXIUSH-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7 |
| SMILES | CACTVS | 3.385 | Oc1ccc2n3[Os](C#[O+])[n+]4cccc5c6C(=O)NC(=O)c6c(c2c1)c3c45.C7C=CC=C7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O |
