XXL
Summary
| Name: | ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate |
| Formula: | C12 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 235.236 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate |
| OpenEye OEToolkits | 1.7.6 | ethyl 2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC)CN1c2c(OCC1=O)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO4/c1-2-16-12(15)7-13-9-5-3-4-6-10(9)17-8-11(13)14/h3-6H,2,7-8H2,1H3 |
| InChIKey | InChI | 1.03 | PNKJMWWGWBCNQL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CN1C(=O)COc2ccccc12 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CN1C(=O)COc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CN1c2ccccc2OCC1=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)CN1c2ccccc2OCC1=O |
