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CHEBI:121799 - 3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:121799
ChEBI Name3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
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FormulaC23H17N3O8
Net Charge0
Average Mass463.402
Monoisotopic Mass463.10156
SMILESCc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H17N3O8/c1-14-5-7-15(8-6-14)21(27)13-34-23(29)16-3-2-4-17(11-16)24-22(28)19-10-9-18(25(30)31)12-20(19)26(32)33/h2-12H,13H2,1H3,(H,24,28)
InChIKeyXVUOIWIIQVGWAJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[[(2,4-dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester (CHEBI:121799) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-33242LINCS