Terminology Service for NFDI4Health
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate
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http://purl.obolibrary.org/obo/CHEBI_75336
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.
Term info
Label
2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate
Synonyms
- 2-[(benzoylamino)methyl]-3,4,6-trichlorophenyl 4-nitrobenzoate
Subsets
3_STAR
charge
0
formula
C21H13Cl3N2O5
has obo namespace
chebi_ontology
id
CHEBI:75336
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
mass
479.69700
monoisotopicmass
477.98900
smiles
[O-][N+](=O)c1ccc(cc1)C(=O)Oc1c(Cl)cc(Cl)c(Cl)c1CNC(=O)c1ccccc1