I4H
Summary
| Name: | ~{N}-ethyl-4-methyl-3-nitro-benzamide |
| Formula: | C10 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-ethyl-4-methyl-3-nitro-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13) |
| InChIKey | InChI | 1.06 | NBDKJRNBTBHWNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C |
