BPU
Summary
| Name: | 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one |
| Formula: | C11 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 263.09 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one |
| OpenEye OEToolkits | 1.7.6 | 7-bromanyl-5H-pyrrolo[1,2-a]quinoxalin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc1cc2c(cc1)n3c(C(=O)N2)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H7BrN2O/c12-7-3-4-9-8(6-7)13-11(15)10-2-1-5-14(9)10/h1-6H,(H,13,15) |
| InChIKey | InChI | 1.03 | RNCKOJOKKQPZIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Brc1ccc2n3cccc3C(=O)Nc2c1 |
| SMILES | CACTVS | 3.370 | Brc1ccc2n3cccc3C(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2n(c1)-c3ccc(cc3NC2=O)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2n(c1)-c3ccc(cc3NC2=O)Br |
