2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 4-methoxybenzoate
2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8003-4717 |
| Compound Name: | 2-nitro-4-{[(3-nitrophenyl)imino]methyl}phenyl 4-methoxybenzoate |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C21 H15 N3 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(/C=N/c2cccc(c2)[N+]([O-])=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.943 |
| logD: | 3.943 |
| logSw: | -4.2074 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 102.836 |
| InChI Key: | OTFVAVIXKIHJIE-UHFFFAOYSA-N |