EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:105472 - 4-[[[(1-ethyl-2-oxo-6-benzo[cd]indolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:105472
ChEBI Name4-[[[(1-ethyl-2-oxo-6-benzo[cd]indolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester
Stars
DownloadsMolfile
FormulaC23H21N3O4
Net Charge0
Average Mass403.438
Monoisotopic Mass403.15321
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
InChIInChI=1S/C23H21N3O4/c1-3-26-19-13-12-18(16-6-5-7-17(20(16)19)21(26)27)25-23(29)24-15-10-8-14(9-11-15)22(28)30-4-2/h5-13H,3-4H2,1-2H3,(H2,24,25,29)
InChIKeyXMJIRJQSDSUUTG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(1-ethyl-2-oxo-6-benzo[cd]indolyl)amino]-oxomethyl]amino]benzoic acid ethyl ester (CHEBI:105472) is a isoindoles (CHEBI:24897)
Manual XrefsDatabases
LSM-16835LINCS