| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2C=C(O)/C(=N/NCc1ccccc1)C=C2CC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1=CC(=N\NCc2ccccc2)/C(=CC1=O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1=CC(=NNCc2ccccc2)C(=CC1=O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN/N=C/2\C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CNN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C16H17N3O4/c17-12(16(22)23)6-11-7-13(15(21)8-14(11)20)19-18-9-10-4-2-1-3-5-10/h1-5,7-8,12,18,21H,6,9,17H2,(H,22,23)/b19-13+/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | NERVXQLOUNZHAC-NHLWYUBBSA-N |
