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CHEBI:92175 - (2-morpholin-4-yl-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate

ChEBI IDCHEBI:92175
ChEBI Name(2-morpholin-4-yl-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate
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FormulaC14H16N2O8S
Net Charge0
Average Mass372.355
Monoisotopic Mass372.06274
SMILESCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16N2O8S/c1-25(21,22)12-3-2-10(8-11(12)16(19)20)14(18)24-9-13(17)15-4-6-23-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyYYDWZZCRNMLZSH-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)
(2-morpholin-4-yl-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate (CHEBI:92175) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-2207LINCS