9YZ
Summary
| Name: | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
| Formula: | C13 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 248.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3 |
| InChIKey | InChI | 1.03 | WXZWPPNMQAIVTN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCN(C(=O)OC)c2ccccc12 |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CCN(C(=O)OC)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCN(c2c1cccc2)C(=O)OC |
