28N
Summary
| Name: | 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one |
| Formula: | C9 H5 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 269.052 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one |
| OpenEye OEToolkits | 1.7.2 | 8-bromanyl-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2ccc1OCC3=NOC(=O)N3c1c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H5BrN2O3/c10-5-1-2-7-6(3-5)12-8(4-14-7)11-15-9(12)13/h1-3H,4H2 |
| InChIKey | InChI | 1.03 | MUDRLQRJCGJJTB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc2OCC3=NOC(=O)N3c2c1 |
| SMILES | CACTVS | 3.370 | Brc1ccc2OCC3=NOC(=O)N3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1Br)N3C(=NOC3=O)CO2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1Br)N3C(=NOC3=O)CO2 |
