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CHEBI:116754 - acetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester

ChEBI IDCHEBI:116754
ChEBI Nameacetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester
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FormulaC22H18N2O7
Net Charge0
Average Mass422.393
Monoisotopic Mass422.11140
SMILESCOc1cc(C=Cc2cc(OC(C)=O)c3ccccc3n2)c(OC(C)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C22H18N2O7/c1-13(25)30-21-11-16(23-19-7-5-4-6-18(19)21)9-8-15-10-17(29-3)12-20(24(27)28)22(15)31-14(2)26/h4-12H,1-3H3
InChIKeyULCXTEUAQBVMFX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester (CHEBI:116754) is a C-nitro compound (CHEBI:35716)
acetic acid [2-[2-(2-acetyloxy-5-methoxy-3-nitrophenyl)ethenyl]-4-quinolinyl] ester (CHEBI:116754) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-28206LINCS