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CHEBI:116865 - 4-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester

ChEBI IDCHEBI:116865
ChEBI Name4-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester
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FormulaC19H19N3O6
Net Charge0
Average Mass385.376
Monoisotopic Mass385.12739
SMILESCCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C19H19N3O6/c1-2-28-19(25)14-3-7-15(8-4-14)21-17(23)11-12-20-18(24)13-5-9-16(10-6-13)22(26)27/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,23)
InChIKeySDTXNBFKDMNMDO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]benzoic acid ethyl ester (CHEBI:116865) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-28316LINCS