VUI
Summary
| Name: | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene |
| Formula: | C9 H10 Br N O4 |
| Formal charge: | 0 |
| Formula weight: | 276.084 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-bromo-1-(2-methoxyethoxy)-2-nitrobenzene |
| OpenEye OEToolkits | 3.1.0.0 | 4-bromanyl-1-(2-methoxyethoxy)-2-nitro-benzene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1cc(c(OCCOC)cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C9H10BrNO4/c1-14-4-5-15-9-3-2-7(10)6-8(9)11(12)13/h2-3,6H,4-5H2,1H3 |
| InChIKey | InChI | 1.06 | JDMAYXLFPMODFC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCOc1ccc(Br)cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COCCOc1ccc(Br)cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COCCOc1ccc(cc1[N+](=O)[O-])Br |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COCCOc1ccc(cc1[N+](=O)[O-])Br |
