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CHEBI:113045 - 4-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester

ChEBI IDCHEBI:113045
ChEBI Name4-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester
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DownloadsMolfile
FormulaC18H12Cl2N2O5
Net Charge0
Average Mass407.209
Monoisotopic Mass406.01233
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H12Cl2N2O5/c1-10-13(17(21-27-10)16-14(19)3-2-4-15(16)20)9-26-18(23)11-5-7-12(8-6-11)22(24)25/h2-8H,9H2,1H3
InChIKeyJJGMDNJHMGALRK-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-nitrobenzoic acid [3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]methyl ester (CHEBI:113045) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-24455LINCS