YX2
Summary
| Name: | 3-propanamido-1-benzofuran-2-carboxamide |
| Formula: | C12 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.235 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-propanamido-1-benzofuran-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-(propanoylamino)-1-benzofuran-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCC(=O)Nc1c2ccccc2oc1C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O3/c1-2-9(15)14-10-7-5-3-4-6-8(7)17-11(10)12(13)16/h3-6H,2H2,1H3,(H2,13,16)(H,14,15) |
| InChIKey | InChI | 1.06 | HGKMUPQEYVFOFN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1c(oc2ccccc12)C(N)=O |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1c(oc2ccccc12)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1c2ccccc2oc1C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1c2ccccc2oc1C(=O)N |
