W4R
Summary
| Name: | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate |
| Formula: | C12 H13 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 290.143 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-[(2,6-dichlorophenyl)acetyl]-N-methylglycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[2-[2,6-bis(chloranyl)phenyl]ethanoyl-methyl-amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(Cl)c1CC(=O)N(C)CC(=O)OC |
| InChI | InChI | 1.06 | InChI=1S/C12H13Cl2NO3/c1-15(7-12(17)18-2)11(16)6-8-9(13)4-3-5-10(8)14/h3-5H,6-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | LGBOFWZQOIRSJS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN(C)C(=O)Cc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | COC(=O)CN(C)C(=O)Cc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)Cc1c(cccc1Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(CC(=O)OC)C(=O)Cc1c(cccc1Cl)Cl |
