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CHEBI:119895 - 5-hydroxy-1,2-dimethyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:119895
ChEBI Name5-hydroxy-1,2-dimethyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC13H13N3O7
Net Charge0
Average Mass323.261
Monoisotopic Mass323.07535
SMILESCCOC(=O)c1c(C)n(C)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c12
InChIInChI=1S/C13H13N3O7/c1-4-23-13(18)9-6(2)14(3)7-5-8(15(19)20)12(17)11(10(7)9)16(21)22/h5,17H,4H2,1-3H3
InChIKeyPBNUPOARCGPMPA-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)
5-hydroxy-1,2-dimethyl-4,6-dinitro-3-indolecarboxylic acid ethyl ester (CHEBI:119895) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-31339LINCS