7MW
Summary
| Name: | methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate |
| Formula: | C9 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 181.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO3/c1-3-8(11)6-4-7(10-5-6)9(12)13-2/h4-5,10H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | GMDIDIYLWBUNEW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1c[nH]c(c1)C(=O)OC |
| SMILES | CACTVS | 3.385 | CCC(=O)c1c[nH]c(c1)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)c1cc([nH]c1)C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)c1cc([nH]c1)C(=O)OC |
