| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2C=C(O)\C(=N/Nc1ccccc1)C=C2CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O4/c16-11(15(21)22)6-9-7-12(14(20)8-13(9)19)18-17-10-4-2-1-3-5-10/h1-5,7-8,11,17,20H,6,16H2,(H,21,22)/b18-12-/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | HWMLKSHHDSRXER-YXQUIRMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CC1=C/C(=N/Nc2ccccc2)C(=CC1=O)O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC1=CC(=NNc2ccccc2)C(=CC1=O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N/N=C\2/C=C(C(=O)C=C2O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)NN=C2C=C(C(=O)C=C2O)CC(C(=O)O)N |
