ethyl 4-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]benzoate
ethyl 4-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8015-0095 |
| Compound Name: | ethyl 4-[(1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 444.4 |
| Molecular Formula: | C24 H16 N2 O7 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1ccc2C(c3ccccc3C(c2c1[N+]([O-])=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3125 |
| logD: | 4.1781 |
| logSw: | -5.3656 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.805 |
| InChI Key: | NQLLXCCAQJJDDV-UHFFFAOYSA-N |