| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)Cc3cc(c2cc1cc(ccc1n2)\C(=[NH2+])N)c([O-])c(Br)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cc(CC([O-])=O)cc(Br)c3[O-] |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])c1ccc2[nH]c(cc2c1)c3cc(CC([O-])=O)cc(Br)c3[O-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C17H14BrN3O3/c18-12-4-8(5-15(22)23)3-11(16(12)24)14-7-10-6-9(17(19)20)1-2-13(10)21-14/h1-4,6-7,21,24H,5H2,(H3,19,20)(H,22,23)/p-1 |
| InChIKey | InChI | 1.03 | VIZNZQTZRMTYPZ-UHFFFAOYSA-M |
