A1IQ1
Summary
| Name: | methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate |
| Formula: | C13 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 233.263 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO3/c1-9(13(16)17-3)8-11-4-6-12(7-5-11)14-10(2)15/h4-8H,1-3H3,(H,14,15)/b9-8- |
| InChIKey | InChI | 1.06 | UPZAERQJNSXZQO-HJWRWDBZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(/C)=C\c1ccc(NC(C)=O)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)C(C)=Cc1ccc(NC(C)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C/c1ccc(cc1)NC(=O)C)/C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=Cc1ccc(cc1)NC(=O)C)C(=O)OC |
