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CHEBI:105572 - N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide

ChEBI IDCHEBI:105572
ChEBI NameN-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
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FormulaC17H14N6O6
Net Charge0
Average Mass398.335
Monoisotopic Mass398.09748
SMILESCc1cccc(Oc2cc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc([N+](=O)[O-])c2)c1
InChIInChI=1S/C17H14N6O6/c1-11-3-2-4-14(5-11)29-15-7-12(6-13(8-15)22(25)26)19-16(24)9-21-10-18-17(20-21)23(27)28/h2-8,10H,9H2,1H3,(H,19,24)
InChIKeyXHOYPAKCFYMKRW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide (CHEBI:105572) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-16935LINCS