| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | IC2=C(Oc1cc(\C=C\C#N)ccc1)C(=C(NC2=O)C)CC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC1=C(C)NC(=O)C(=C1Oc2cccc(\C=C\C#N)c2)I |
| SMILES | CACTVS | 3.341 | CCC1=C(C)NC(=O)C(=C1Oc2cccc(C=CC#N)c2)I |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC1=C(NC(=O)C(=C1Oc2cccc(c2)C=CC#N)I)C |
| InChI | InChI | 1.03 | InChI=1S/C17H15IN2O2/c1-3-14-11(2)20-17(21)15(18)16(14)22-13-8-4-6-12(10-13)7-5-9-19/h4-8,10H,3H2,1-2H3,(H,20,21)/b7-5+ |
| InChIKey | InChI | 1.03 | XMFUXIRAVPMVRS-FNORWQNLSA-N |
