NY0
Summary
| Name: | 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one |
| Synonyms: | 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor) |
| Formula: | C11 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 204.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14) |
| InChIKey | InChI | 1.06 | YCDLZRNCWDUXPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CC(=Nc2ccccc12)O |
| SMILES | CACTVS | 3.385 | CCC(=O)N1CC(=Nc2ccccc12)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC(=Nc2c1cccc2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)N1CC(=Nc2c1cccc2)O |
