| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H17N3O7/c25-20(13-4-2-1-3-5-13)19-21(14-6-8-15(9-7-14)27(33)34)26(23(30)22(19)29)16-10-11-18(28)17(12-16)24(31)32/h1-12,21,28H,25H2,(H,31,32)/b20-19-/t21-/m1/s1 |
| InChIKey | InChI | 1.03 | LSUDXEOVUGYZBL-KEDKVEHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(/c1ccccc1)=C2/[C@H](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NC(c1ccccc1)=C2[CH](N(c3ccc(O)c(c3)C(O)=O)C(=O)C2=O)c4ccc(cc4)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C(=C/2\[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(=C2C(N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])N |
