PYU
Summary
| Name: | 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol |
| Formula: | C11 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 219.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol |
| OpenEye OEToolkits | 1.5.0 | pyrrol-1-yl-(2,4,6-trihydroxyphenyl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c(O)cc(O)cc1O)n2cccc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)c(c(O)c1)C(=O)n2cccc2 |
| SMILES | CACTVS | 3.341 | Oc1cc(O)c(c(O)c1)C(=O)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)C(=O)c2c(cc(cc2O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccn(c1)C(=O)c2c(cc(cc2O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H |
| InChIKey | InChI | 1.03 | RYGSNHBTZDYVSS-UHFFFAOYSA-N |
