Basic information
- Standard SMILES
COC(=O)C1=C(CF)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1Cl- InChIKey
NINNYBILCVGJSX-UHFFFAOYSA-N- Molecular formula
- C19H20ClFN2O6
- Average molar mass
- 426.8 g/mol
- Monoisotopic mass
- 426.0993922
Names & identifiers
- Preferred name
- 3-Methyl 5-(1-methylethyl) 4-(2-chloro-3-nitrophenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
- IUPAC
- 3-O-methyl 5-O-propan-2-yl 4-(2-chloro-3-nitrophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7434250NINNYBILCVGJSX-UHFFFAOYSA-N3-Methyl 5-(1-methylethyl) 4-(2-chloro-3-nitrophenyl)-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
Database identifiers
- PubChem CID
- 70091196
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 745
Related reactions
1 records
Compound notes
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