EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108153 - 6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester

ChEBI IDCHEBI:108153
ChEBI Name6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
Stars
DownloadsMolfile
FormulaC18H18ClN3O6
Net Charge0
Average Mass407.810
Monoisotopic Mass407.08841
SMILESCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c(OCC(N)=O)cc1Cl
InChIInChI=1S/C18H18ClN3O6/c1-8-15(18(24)26-3)16(10(6-20)17(22)28-8)9-4-12(25-2)13(5-11(9)19)27-7-14(21)23/h4-5,16H,7,22H2,1-3H3,(H2,21,23)
InChIKeyAMTUZINQWIIGLW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester (CHEBI:108153) is a methoxybenzenes (CHEBI:51683)
Manual XrefsDatabases
LSM-19530LINCS