| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CC2C=C(NNc1ncccc1)C(O)=CC2=O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](C[C@@H]1C=C(NNc2ccccn2)C(=CC1=O)O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](C[CH]1C=C(NNc2ccccn2)C(=CC1=O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NNC2=CC(C(=O)C=C2O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccnc(c1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H16N4O4/c15-9(14(21)22)5-8-6-10(12(20)7-11(8)19)17-18-13-3-1-2-4-16-13/h1-4,6-9,17,20H,5,15H2,(H,16,18)(H,21,22)/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | AZUQIXJQZOMXAS-BDAKNGLRSA-N |
