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CHEBI:117067 - 3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline

ChEBI IDCHEBI:117067
ChEBI Name3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline
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DownloadsMolfile
FormulaC13H13N3O4
Net Charge0
Average Mass275.264
Monoisotopic Mass275.09061
SMILESCOc1cccc(NC=Cc2onc(C)c2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O4/c1-9-13(16(17)18)12(20-15-9)6-7-14-10-4-3-5-11(8-10)19-2/h3-8,14H,1-2H3
InChIKeyPHDPDISOBZPHKI-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)
3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline (CHEBI:117067) is a aromatic ether (CHEBI:35618)
3-methoxy-N-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]aniline (CHEBI:117067) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-28514LINCS