| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)Cc2c1ccc(O)c(O)c1nc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13-15H,3,12H2,(H,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | NKLKDDZIKAVXNO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1c[nH]c2c(O)c(O)ccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)O |
