EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94205 - 4-(4-morpholinyl)-3-nitrobenzoic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester

ChEBI IDCHEBI:94205
ChEBI Name4-(4-morpholinyl)-3-nitrobenzoic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester
Stars
DownloadsMolfile
FormulaC19H21N4O5S
Net Charge+1
Average Mass417.467
Monoisotopic Mass417.12272
SMILESCc1c(CCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc[n+]1CC#N
InChIInChI=1S/C19H21N4O5S/c1-14-18(29-13-22(14)6-5-20)4-9-28-19(24)15-2-3-16(17(12-15)23(25)26)21-7-10-27-11-8-21/h2-3,12-13H,4,6-11H2,1H3/q+1
InChIKeyHDENVIKTAIGNNY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-morpholinyl)-3-nitrobenzoic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester (CHEBI:94205) is a morpholines (CHEBI:38785)
Manual XrefsDatabases
LSM-4826LINCS