A1JF7
Summary
| Name: | ~{N}-(4-bromanyl-3-nitro-phenyl)-2-(1,2,3-triazol-1-yl)ethanamide |
| Formula: | C10 H8 Br N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 326.106 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(4-bromanyl-3-nitro-phenyl)-2-(1,2,3-triazol-1-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8BrN5O3/c11-8-2-1-7(5-9(8)16(18)19)13-10(17)6-15-4-3-12-14-15/h1-5H,6H2,(H,13,17) |
| InChIKey | InChI | 1.06 | JWYPHVGKUYHWNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc(NC(=O)Cn2ccnn2)ccc1Br |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc(NC(=O)Cn2ccnn2)ccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)Cn2ccnn2)[N+](=O)[O-])Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1NC(=O)Cn2ccnn2)[N+](=O)[O-])Br |
