EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75336 - 2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate

ChEBI IDCHEBI:75336
ChEBI Name2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate
Stars
DefinitionA member of the class of benzamides obtained by the formal condensation of 2-(aminomethyl)-3,4,6-trichlorophenol and benzoic acid. The carboxamide is further esterified at the phenolic hydroxy group by 4-nitrobenzoic acid.
Last Modified22 October 2014
Submitternamrata
DownloadsMolfile
FormulaC21H13Cl3N2O5
Net Charge0
Average Mass479.703
Monoisotopic Mass477.98900
SMILESO=C(NCc1c(Cl)c(Cl)cc(Cl)c1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C21H13Cl3N2O5/c22-16-10-17(23)19(31-21(28)13-6-8-14(9-7-13)26(29)30)15(18(16)24)11-25-20(27)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,27)
InChIKeyBPXPNWUTEUHQFS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent 2-(aminomethyl)-3,4,6-trichlorophenol (CHEBI:75337)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent 4-nitrobenzoic acid (CHEBI:262350)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) has functional parent benzoic acid (CHEBI:30746)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) is a C-nitro compound (CHEBI:35716)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) is a benzamides (CHEBI:22702)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) is a benzoate ester (CHEBI:36054)
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate (CHEBI:75336) is a trichlorobenzene (CHEBI:27096)
IUPAC Name 
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate