2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl benzoate
Chemical Structure Depiction of
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl benzoate
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl benzoate
Compound characteristics
| Compound ID: | 8003-5142 |
| Compound Name: | 2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl benzoate |
| Molecular Weight: | 391.34 |
| Molecular Formula: | C20 H13 N3 O6 |
| Smiles: | C(\c1ccc(c(c1)[N+]([O-])=O)OC(c1ccccc1)=O)=N/c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8555 |
| logD: | 3.8555 |
| logSw: | -4.2656 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.292 |
| InChI Key: | HVZCYECZKBSPNR-UHFFFAOYSA-N |