CHEBI:79770 - trans-2-(4-nitrophenyl)-3-phenyloxirane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-(4-nitrophenyl)-3-phenyloxirane
ChEBI ID CHEBI:79770
ChEBI ASCII Name trans-2-(4-nitrophenyl)-3-phenyloxirane
Definition An epoxide that is oxirane substituted by a phenyl group at position 3 and a 4-nitrophenyl group at position 2 (the trans-isomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H11NO3
Net Charge 0
Average Mass 241.24200
Monoisotopic Mass 241.07389
InChI InChI=1S/C14H11NO3/c16-15(17)12-8-6-11(7-9-12)14-13(18-14)10-4-2-1-3-5-10/h1-9,13-14H/t13-,14-/m0/s1
InChIKey YUZKNYLREGXARL-KBPBESRZSA-N
SMILES [O-][N+](=O)c1ccc(cc1)[C@@H]1O[C@H]1c1ccccc1
ChEBI Ontology
Outgoing trans-2-(4-nitrophenyl)-3-phenyloxirane (CHEBI:79770) is a C-nitro compound (CHEBI:35716)
trans-2-(4-nitrophenyl)-3-phenyloxirane (CHEBI:79770) is a epoxide (CHEBI:32955)
IUPAC Name
(2S,3S)-2-(4-nitrophenyl)-3-phenyloxirane
Synonyms Sources
trans- alpha,alpha'-Epoxy-4-nitrobibenzyl KEGG COMPOUND
trans-4-Nitrostilbene oxide KEGG COMPOUND
Manual Xrefs Databases
C15268 KEGG COMPOUND
LMPK13090027 LIPID MAPS
View more database links
Registry Numbers Types Sources
1430416 Reaxys Registry Number Reaxys
14985-26-3 CAS Registry Number KEGG COMPOUND
Last Modified
03 March 2015