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CHEBI:122034 - 4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester

ChEBI IDCHEBI:122034
ChEBI Name4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester
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DownloadsMolfile
FormulaC16H20N2O5S
Net Charge0
Average Mass352.412
Monoisotopic Mass352.10929
SMILESCOC(=O)c1ccc(SCC(=O)NC2CCCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H20N2O5S/c1-23-16(20)11-7-8-14(13(9-11)18(21)22)24-10-15(19)17-12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,17,19)
InChIKeyRULRIFKPXKSRTF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-nitrobenzoic acid methyl ester (CHEBI:122034) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-33477LINCS