| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)C(=C/c1ccc(o1)c1ccccc1[N+]([O-])=O)/C#N |
| InChI | InChI | 1.06 | InChI=1S/C14H8N2O5/c15-8-9(14(17)18)7-10-5-6-13(21-10)11-3-1-2-4-12(11)16(19)20/h1-7H,(H,17,18)/b9-7+ |
| InChIKey | InChI | 1.06 | YLPDIFBYWSZEDK-VQHVLOKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=C/c1oc(cc1)c2ccccc2[N+]([O-])=O)/C#N |
| SMILES | CACTVS | 3.385 | OC(=O)C(=Cc1oc(cc1)c2ccccc2[N+]([O-])=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)c2ccc(o2)/C=C(\C#N)/C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)c2ccc(o2)C=C(C#N)C(=O)O)[N+](=O)[O-] |
