Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trichloromethyl)-3,5-pyridinedicarboxylate

HCID 20189412
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Basic information

Standard SMILES
CCOC(=O)C1=C(C)NC(O)(C(Cl)(Cl)Cl)C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
InChIKey
ZLJLPWPAEMOZAO-UHFFFAOYSA-N
Molecular formula
C19H21Cl3N2O7
Average molar mass
495.7 g/mol

Names & identifiers

Preferred name
Diethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trichloromethyl)-3,5-pyridinedicarboxylate
IUPAC
diethyl 2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trichloromethyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL7430211ZLJLPWPAEMOZAO-UHFFFAOYSA-NDiethyl 1,2,3,4-tetrahydro-2-hydroxy-6-methyl-4-(3-nitrophenyl)-2-(trichloromethyl)-3,5-pyridinedicarboxylate

Database identifiers

PubChem CID
20189412

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
131 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

Related reactions

1 records
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Compound notes

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