| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1ccc(cc1)C(=O)Cc2c(cc(OC)c(OC)c2)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O5/c1-23-16-8-13(14(19(21)22)9-17(16)24-2)7-15(20)12-5-3-11(10-18)4-6-12/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | IDNLSCLFQWBBHS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CC(=O)c2ccc(cc2)C#N)c(cc1OC)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COc1cc(CC(=O)c2ccc(cc2)C#N)c(cc1OC)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(c(cc1OC)[N+](=O)[O-])CC(=O)c2ccc(cc2)C#N |
