Chemical ID: 4313180

CCOC(=O)C(=Cc1ccc(c(c1)OC)OCc2ccc(cc2)[N+](=O)[O-])C#N
Chemical ID:
4313180
Name [?]:
ethyl 2-cyano-3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-prop-2-enoate
SMILES [?]:
CCOC(=O)C(=Cc1ccc(c(c1)OC)OCc2ccc(cc2)[N+](=O)[O-])C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O6
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.57265
Area:631.446
Solvation:-11.2135
Coulombic:-49.5905
Bond Count [?]
All:29
Single:19
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:382.367
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.91
LogP (Chemaxon):3.6

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue