| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1N=CC(O1)C(=O)N1CCNC(=O)C1c1ccc(Br)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C14H12BrN3O4/c15-9-3-1-8(2-4-9)11-12(19)16-5-6-18(11)13(20)10-7-17-14(21)22-10/h1-4,7,10-11H,5-6H2,(H,16,19)/t10-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | OEGHXVDYTKMURF-WDEREUQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc(cc1)[C@H]2N(CCNC2=O)C(=O)[C@H]3OC(=O)N=C3 |
| SMILES | CACTVS | 3.385 | Brc1ccc(cc1)[CH]2N(CCNC2=O)C(=O)[CH]3OC(=O)N=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[C@@H]2C(=O)NCCN2C(=O)[C@@H]3C=NC(=O)O3)Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C2C(=O)NCCN2C(=O)C3C=NC(=O)O3)Br |
