2-[2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-[2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-[2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 4783-0474 |
| Compound Name: | 2-[2-(3-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 352.3 |
| Molecular Formula: | C18 H12 N2 O6 |
| Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(/C=C/c1cccc(c1)[N+]([O-])=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 2.8068 |
| logD: | 2.8068 |
| logSw: | -3.5467 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.464 |
| InChI Key: | RWVCGTIROMAYAD-UHFFFAOYSA-N |