Basic information
- Standard SMILES
CCOC(=O)C1=C(C)NC(O)(c2ccc([N+](=O)[O-])cc2)C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1- InChIKey
JUXIEWFAOQAMER-UHFFFAOYSA-N- Molecular formula
- C24H25N3O9
- Average molar mass
- 499.5 g/mol
Names & identifiers
- Preferred name
- Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(4-nitrophenyl)-3,5-pyridinedicarboxylate
- IUPAC
- diethyl 2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7430413JUXIEWFAOQAMER-UHFFFAOYSA-NDiethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(4-nitrophenyl)-3,5-pyridinedicarboxylate
Database identifiers
- PubChem CID
- 20189315
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 888
Related reactions
3 records
Compound notes
Loading…