| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12NO2.C5H5.Fe/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-5-3-1;/h1-4H,5-8H2;1-5H; |
| InChIKey | InChI | 1.06 | OWBVXAMOKWDXAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CCC(=O)N1CCC2=C[C@@H]([Fe]C3C=CC=C3)C=C2 |
| SMILES | CACTVS | 3.385 | O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3C=CC=C3)C=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([C@H]4[CH]5=[CH]63)[CH]2=[CH]7C8[CH]9=[CH]12 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([CH]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12 |
