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CHEBI:120968 - 4-methylbenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester

ChEBI IDCHEBI:120968
ChEBI Name4-methylbenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC18H16N2O5S
Net Charge0
Average Mass372.402
Monoisotopic Mass372.07799
SMILESCOc1cc(C=C(C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16N2O5S/c1-12-3-6-15(7-4-12)26(22,23)25-16-8-5-13(10-17(16)24-2)9-14(11-19)18(20)21/h3-10H,1-2H3,(H2,20,21)
InChIKeyNUZCZZRTNXONGS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-methylbenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester (CHEBI:120968) is a cinnamamides (CHEBI:23247)
4-methylbenzenesulfonic acid [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] ester (CHEBI:120968) is a secondary carboxamide (CHEBI:140325)
Manual XrefsDatabases
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