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CHEBI:377106 - (E)-4-nitrostilbene

ChEBI IDCHEBI:377106
ChEBI Name(E)-4-nitrostilbene
Stars
ASCII Name(E)-4-nitrostilbene
DefinitionA stilbenoid with a structure of (E)-stilbene substituted at one of the C-4 positions by a nitro group.
Secondary ChEBI IDCHEBI:34007
Last Modified22 November 2010
DownloadsMolfile
FormulaC14H11NO2
Net Charge0
Average Mass225.247
Monoisotopic Mass225.07898
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyZISCOWXWCHUSMH-VOTSOKGWSA-N
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
(E)-4-nitrostilbene (CHEBI:377106) has role mutagen (CHEBI:25435)
(E)-4-nitrostilbene (CHEBI:377106) is a stilbenoid (CHEBI:26776)
IUPAC Name 
1-nitro-4-[(E)-2-phenylethenyl]benzene
Synonyms  Source
(E)-4-NitrostilbeneKEGG COMPOUND
trans-p-NitrostilbeneKEGG COMPOUND
1-nitro-4-[(E)-2-phenylvinyl]benzeneChEBI
1-Nitro-4-styryl-benzeneChEMBL
1-nitro-4-[(E)-2-phenylvinyl]benzeneIUPAC
(E)-1-Nitro-4-(2-phenylethenyl)benzeneChemIDplus
Manual XrefsDatabases
C14662KEGG COMPOUND
LMPK13090020LIPID MAPS
Registry NumbersSources
Reaxys:1311157Reaxys
CAS:1694-20-8KEGG COMPOUND
CAS:1694-20-8ChemIDplus