6DE
Summary
| Name: | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER |
| Formula: | C14 H15 Cl N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.734 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | ethyl 1-(2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate |
| OpenEye OEToolkits | 1.5.0 | ethyl 1-(2-chlorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccccc1n2nc(c(c2C)C(=O)OCC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1c(C)nn(c1C)c2ccccc2Cl |
| SMILES | CACTVS | 3.341 | CCOC(=O)c1c(C)nn(c1C)c2ccccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C |
| InChI | InChI | 1.03 | InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3 |
| InChIKey | InChI | 1.03 | XQCKNCFQOJFQFK-UHFFFAOYSA-N |
