Diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
21881-53-8- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1Cl- InChIKey
KDZKXCNAMNJRNO-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O6
- Average molar mass
- 408.8 g/mol
- Monoisotopic mass
- 408.1088141
Names & identifiers
- Preferred name
- Diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
21881-53-8Oprea1_819833CHEMBL1096521DTXSID601123293AKOS001056829EBC-370056diethyl 4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-DIETHYL 4-(2-CHLORO-5-NITROPHENYL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATEZ568835083,5-Diethyl 4-(2-chloro-5-nitrophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Database identifiers
- CAS
21881-53-8- PubChem CID
- 1177205
- DTXSID
DTXSID601123293- ChEMBL
CHEMBL1096521- Nikkaji
- J3.042.944C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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