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CHEBI:120410 - 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester

ChEBI IDCHEBI:120410
ChEBI Name3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester
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DownloadsMolfile
FormulaC22H25N3O5
Net Charge0
Average Mass411.458
Monoisotopic Mass411.17942
SMILESCCc1ccc(NC(=O)C(C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C22H25N3O5/c1-3-16-6-9-18(10-7-16)23-21(26)15(2)30-22(27)17-8-11-19(20(14-17)25(28)29)24-12-4-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,26)
InChIKeyJXNLKCNTGZXCNU-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)
3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester (CHEBI:120410) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-31853LINCS