ISK
Summary
| Name: | 2-acetamido-N-(3-bromanylprop-2-ynyl)ethanamide |
| Formula: | C7 H9 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 233.063 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-acetamido-~{N}-(3-bromanylprop-2-ynyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H9BrN2O2/c1-6(11)10-5-7(12)9-4-2-3-8/h4-5H2,1H3,(H,9,12)(H,10,11) |
| InChIKey | InChI | 1.06 | VNYCHSVZFAMMQB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCC(=O)NCC#CBr |
| SMILES | CACTVS | 3.385 | CC(=O)NCC(=O)NCC#CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC(=O)NCC#CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCC(=O)NCC#CBr |
