A1EA6
Summary
| Name: | ethyl 4-[(4-chlorophenyl)amino]-4-oxidanylidene-butanoate |
| Formula: | C12 H14 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 255.697 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl 4-[(4-chlorophenyl)amino]-4-oxidanylidene-butanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14ClNO3/c1-2-17-12(16)8-7-11(15)14-10-5-3-9(13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | XUFMMGCZRKBIFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCC(=O)Nc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCC(=O)Nc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCC(=O)Nc1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCC(=O)Nc1ccc(cc1)Cl |
