Chemical ID: 4237137

CCOC(=O)C1=CN(C=C(C1c2ccc(c(c2)[N+](=O)[O-])C)C(=O)OCC)C
Chemical ID:
4237137
Name [?]:
diethyl 1-methyl-4-(4-methyl-3-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate
SMILES [?]:
CCOC(=O)C1=CN(C=C(C1c2ccc(c(c2)[N+](=O)[O-])C)C(=O)OCC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H22N2O6
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.56317
Area:536.914
Solvation:-6.85968
Coulombic:-58.0862
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.388
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.15
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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