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CHEBI:117235 - 4-[[4-(3-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one

ChEBI IDCHEBI:117235
ChEBI Name4-[[4-(3-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one
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DownloadsMolfile
FormulaC22H17N5O6
Net Charge0
Average Mass447.407
Monoisotopic Mass447.11788
SMILESCc1cccc(Nc2c([N+](=O)[O-])cc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])c1
InChIInChI=1S/C22H17N5O6/c1-13-5-4-6-15(9-13)23-21-18(26(30)31)10-14(11-19(21)27(32)33)22(29)25-12-20(28)24-16-7-2-3-8-17(16)25/h2-11,23H,12H2,1H3,(H,24,28)
InChIKeyTWYIZGPYZAVPMR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
4-[[4-(3-methylanilino)-3,5-dinitrophenyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one (CHEBI:117235) is a nitroaniline (CHEBI:25550)
Manual XrefsDatabases
LSM-28684LINCS