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CHEBI:92911 - 4-methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester

ChEBI IDCHEBI:92911
ChEBI Name4-methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
Stars
DownloadsMolfile
FormulaC19H15N3O6S
Net Charge0
Average Mass413.411
Monoisotopic Mass413.06816
SMILESCc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1
InChIInChI=1S/C19H15N3O6S/c1-11-3-4-13(7-15(11)22(25)26)18(24)28-17-9-27-14(8-16(17)23)10-29-19-20-6-5-12(2)21-19/h3-9H,10H2,1-2H3
InChIKeyFMDSBLVNALNUMA-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-methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester (CHEBI:92911) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-3157LINCS