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

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ChEBI Name 2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate
ChEBI ID CHEBI:75336
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H13Cl3N2O5
Net Charge 0
Average Mass 479.69700
Monoisotopic Mass 477.98900
InChI InChI=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)
InChIKey BPXPNWUTEUHQFS-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1
ChEBI Ontology
Outgoing 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
Last Modified
22 October 2014