8B5
Summary
| Name: | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione |
| Formula: | C15 H9 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 345.148 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[(3-bromophenyl)methoxy]phthalazine-1,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H9BrN2O3/c16-10-3-1-2-9(6-10)8-21-11-4-5-12-13(7-11)15(20)18-17-14(12)19/h1-7H,8H2 |
| InChIKey | InChI | 1.06 | IBBBSWKNUHVKGM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1 |
| SMILES | CACTVS | 3.385 | Brc1cccc(COc2ccc3C(=O)N=NC(=O)c3c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Br)COc2ccc3c(c2)C(=O)N=NC3=O |
