| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N3O3/c19-20-12-17(22)16(11-14-7-3-1-4-8-14)21-18(23)24-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2/p+1/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | VLIGBVLLNSWVMI-MRXNPFEDSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2 |
| SMILES | CACTVS | 3.385 | O=C(N[CH](Cc1ccccc1)C(=O)C[N+]#N)OCc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)C[C@H](C(=O)C[N+]#N)NC(=O)OCc2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2ccccc2 |
