5GU
Summary
| Name: | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one |
| Formula: | C8 H7 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 227.058 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-bromo-3,4-dihydroquinoxalin-2(1H)-one |
| OpenEye OEToolkits | 1.9.2 | 7-bromanyl-3,4-dihydro-1H-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2CNc1ccc(Br)cc1N2 |
| InChI | InChI | 1.03 | InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12) |
| InChIKey | InChI | 1.03 | ZITQQDFTRWZLSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1ccc2NCC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | Brc1ccc2NCC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Br)NC(=O)CN2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Br)NC(=O)CN2 |
