Structure Database (LMSD)

Common Name
trans-4-methoxy-4'-nitrostilbene oxide
Systematic Name
Synonyms
  • trans-2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane
LM ID
LMPK13090029
Formula
C15H13NO4
Exact Mass
Calculate m/z
271.084459
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
CTPLJPLKYKCNAY-GJZGRUSLSA-N
InChi (Click to copy)
InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1
SMILES (Click to copy)
[C@@H]1(C2=CC=C(OC)C=C2)O[C@H]1C1=CC=C([N+](=O)[O-])C=C1

Other Databases

KEGG ID
C15457
CHEBI ID
79954
PubChem CID
248989

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 236.86
Topological Polar Surface Area 64.90
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.42
Molar Refractivity 72.66

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Updated at
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