PYC
Summary
| Name: | PYRROLE-2-CARBOXYLATE |
| Formula: | C5 H4 N O2 |
| Formal charge: | -1 |
| Formula weight: | 110.091 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1H-pyrrole-2-carboxylate |
| OpenEye OEToolkits | 1.5.0 | 1H-pyrrole-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-]C(=O)c1cccn1 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-]C(=O)c1[nH]ccc1 |
| SMILES | CACTVS | 3.341 | [O-]C(=O)c1[nH]ccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc([nH]c1)C(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc([nH]c1)C(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)/p-1 |
| InChIKey | InChI | 1.03 | WRHZVMBBRYBTKZ-UHFFFAOYSA-M |
