| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(OCC#N)c3ccc(C=2Oc1ccccc1C(=O)C=2)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H11NO4/c19-9-10-22-18(21)13-7-5-12(6-8-13)17-11-15(20)14-3-1-2-4-16(14)23-17/h1-8,11H,10H2 |
| InChIKey | InChI | 1.03 | VHZDBQAQWIEXCK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(OCC#N)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES | CACTVS | 3.370 | O=C(OCC#N)c1ccc(cc1)C2=CC(=O)c3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N |
