6IU
Summary
| Name: | N-(2-acetamidoethyl)-2-nitro-ethanamide |
| Formula: | C6 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 189.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-acetamidoethyl)-2-nitro-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11) |
| InChIKey | InChI | 1.03 | XUBGUOZSRHKRMS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCNC(=O)C[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCNC(=O)C[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCNC(=O)C[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCNC(=O)C[N+](=O)[O-] |
