9Z0
Summary
| Name: | 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide |
| Formula: | C8 H10 Br2 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 325.985 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide |
| OpenEye OEToolkits | 1.7.6 | 4,5-bis(bromanyl)-N-(3-oxidanylpropyl)-1H-pyrrole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(Br)c(Br)n1)NCCCO |
| InChI | InChI | 1.03 | InChI=1S/C8H10Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h4,12-13H,1-3H2,(H,11,14) |
| InChIKey | InChI | 1.03 | UAVIBMSTKCBELE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCNC(=O)c1[nH]c(Br)c(Br)c1 |
| SMILES | CACTVS | 3.385 | OCCCNC(=O)c1[nH]c(Br)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c([nH]c1C(=O)NCCCO)Br)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c([nH]c1C(=O)NCCCO)Br)Br |
