A1BCB
Summary
| Name: | ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate |
| Formula: | C13 H15 N O4 |
| Formal charge: | 0 |
| Formula weight: | 249.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | ethyl (2R)-2-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate |
| OpenEye OEToolkits | 2.0.7 | ethyl (2~{R})-2-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OCC)C(C)N1c2ccccc2OCC1=O |
| InChI | InChI | 1.06 | InChI=1S/C13H15NO4/c1-3-17-13(16)9(2)14-10-6-4-5-7-11(10)18-8-12(14)15/h4-7,9H,3,8H2,1-2H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | AQGBRBQIBKNJBS-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)[C@@H](C)N1C(=O)COc2ccccc12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)[CH](C)N1C(=O)COc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)[C@@H](C)N1c2ccccc2OCC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C(C)N1c2ccccc2OCC1=O |
