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CHEBI:117090 - 2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester

ChEBI IDCHEBI:117090
ChEBI Name2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H26N2O9S
Net Charge0
Average Mass494.522
Monoisotopic Mass494.13590
SMILESCCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C22H26N2O9S/c1-6-32-22(27)19-13(7-12(2)3)11-34-20(19)23-18(25)10-33-21(26)14-8-16(30-4)17(31-5)9-15(14)24(28)29/h8-9,11-12H,6-7,10H2,1-5H3,(H,23,25)
InChIKeyNOVKXHLIJDTQLK-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)
2-[[2-[(4,5-dimethoxy-2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester (CHEBI:117090) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-28537LINCS