7IY
Summary
| Name: | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide |
| Formula: | C9 H11 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 214.649 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-azanyl-4-chloranyl-phenyl)-2-methoxy-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11ClN2O2/c1-14-5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5,11H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | NBKYWFKVWBQTFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCC(=O)Nc1ccc(Cl)c(N)c1 |
| SMILES | CACTVS | 3.385 | COCC(=O)Nc1ccc(Cl)c(N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCC(=O)Nc1ccc(c(c1)N)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCC(=O)Nc1ccc(c(c1)N)Cl |
