A1BQZ
Summary
| Name: | 6-propanoyl-2H-1,4-benzoxazin-3(4H)-one |
| Formula: | C11 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 205.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 6-propanoyl-2H-1,4-benzoxazin-3(4H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 6-propanoyl-4~{H}-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CCC(=O)c1ccc2OCC(=O)Nc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C11H11NO3/c1-2-9(13)7-3-4-10-8(5-7)12-11(14)6-15-10/h3-5H,2,6H2,1H3,(H,12,14) |
| InChIKey | InChI | 1.06 | SGXMEUBMGXFRJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)c1ccc2OCC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | CCC(=O)c1ccc2OCC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)c1ccc2c(c1)NC(=O)CO2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC(=O)c1ccc2c(c1)NC(=O)CO2 |
