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CHEBI:116228 - 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethylphenyl)-3-hydroxy-5-nitro-4-triazolimine

ChEBI IDCHEBI:116228
ChEBI Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethylphenyl)-3-hydroxy-5-nitro-4-triazolimine
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FormulaC18H17N5O5
Net Charge0
Average Mass383.364
Monoisotopic Mass383.12297
SMILESCCc1cccc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)c1
InChIInChI=1S/C18H17N5O5/c1-2-12-4-3-5-13(10-12)19-17-18(23(25)26)20-21(22(17)24)14-6-7-15-16(11-14)28-9-8-27-15/h3-7,10-11,24H,2,8-9H2,1H3
InChIKeyVUBLJBWQYRMQJL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-ethylphenyl)-3-hydroxy-5-nitro-4-triazolimine (CHEBI:116228) is a benzodioxine (CHEBI:64096)
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