EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94328 - 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester

ChEBI IDCHEBI:94328
ChEBI Name2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC17H17BrN2O5
Net Charge0
Average Mass409.236
Monoisotopic Mass408.03208
SMILESCCOC(=O)C1=C(N)Oc2ccc(Br)cc2C1C(C#N)C(=O)OCC
InChIInChI=1S/C17H17BrN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3
InChIKeySXJDCULZDFWMJC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester (CHEBI:94328) is a 1-benzopyran (CHEBI:38443)
Manual XrefsDatabases
LSM-4973LINCS