acetic 2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazine-7-carboxylic anhydride
Chemical Structure Depiction of
acetic 2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazine-7-carboxylic anhydride
acetic 2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazine-7-carboxylic anhydride
Compound characteristics
| Compound ID: | 8011-3811 |
| Compound Name: | acetic 2-[2-(4-nitrophenyl)ethenyl]-4-oxo-4H-3,1-benzoxazine-7-carboxylic anhydride |
| Molecular Weight: | 380.31 |
| Molecular Formula: | C19 H12 N2 O7 |
| Smiles: | CC(=O)OC(c1ccc2C(=O)OC(/C=C/c3ccc(cc3)[N+]([O-])=O)=Nc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6854 |
| logD: | 2.6854 |
| logSw: | -3.3278 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.094 |
| InChI Key: | CJIQLUFBHAWLGH-UHFFFAOYSA-N |