Structure Database (LMSD)

_ O O O + N
Common Name
(E)-4-Methoxy-4'-nitrostilbene
Systematic Name
Synonyms
  • (E)-1-methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene
LM ID
LMPK13090019
Formula
C15H13NO3
Exact Mass
Calculate m/z
255.089544
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

String Representations

InChiKey (Click to copy)
PDFBJCRLHMEJQP-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C15H13NO3/c1-19-15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(17)18/h2-11H,1H3/b3-2+
SMILES (Click to copy)
C1([N+]([O-])=O)=CC=C(/C=C/C2=CC=C(OC)C=C2)C=C1

References

Other Databases

KEGG ID
C14622
CHEBI ID
34006
PubChem CID
745105

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 237.79
Topological Polar Surface Area 52.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.77
Molar Refractivity 75.02

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Updated at
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