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CHEBI:135206 - nicoclonate

ChEBI IDCHEBI:135206
ChEBI Namenicoclonate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC16H16ClNO2
Net Charge0
Average Mass289.762
Monoisotopic Mass289.08696
SMILESCC(C)C(OC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3
InChIKeyXPPXHQUWVYMTDM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nicoclonate (CHEBI:135206) has functional parent benzyl alcohol (CHEBI:17987)
nicoclonate (CHEBI:135206) is a carboxylic ester (CHEBI:33308)
Synonym  Source
nicoclonolDrugCentral
Manual XrefsDatabases
1913DrugCentral
Registry NumbersSources
CAS:10571-59-2DrugCentral