| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C24H16N4O5/c29-23-21-19(20(25-26-21)14-4-2-1-3-5-14)22(15-6-12-18(13-7-15)28(32)33)27(23)17-10-8-16(9-11-17)24(30)31/h1-13,22H,(H,25,26)(H,30,31)/t22-/m1/s1 |
| InChIKey | InChI | 1.03 | FAPWESYGTXHTQV-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc(cc1)N2[C@H](c3ccc(cc3)[N+]([O-])=O)c4c([nH]nc4c5ccccc5)C2=O |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc(cc1)N2[CH](c3ccc(cc3)[N+]([O-])=O)c4c([nH]nc4c5ccccc5)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]n2)C(=O)N([C@@H]3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)c2c3c([nH]n2)C(=O)N(C3c4ccc(cc4)[N+](=O)[O-])c5ccc(cc5)C(=O)O |
