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CHEBI:44128 - 3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline

ChEBI IDCHEBI:44128
ChEBI Name3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline
Stars
ASCII Name3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline
Last Modified16 May 2008
DownloadsMolfile
FormulaC19H15N7O2
Net Charge0
Average Mass373.376
Monoisotopic Mass373.12872
SMILES[H]C1=N/C(=N\c2c([H])c([H])c([H])c([N+](=O)[O-])c2[H])N=C(c2c([H])c([H])c([H])c(C([H])([H])n3nc([H])nc3[H])c2[H])C1([H])[H]
InChIInChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19+
InChIKeyPLQVWKCQWFFUFJ-FCDQGJHFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline (CHEBI:44128) is a C-nitro compound (CHEBI:35716)
3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline (CHEBI:44128) is a pyrimidinimine (CHEBI:48469)
3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline (CHEBI:44128) is a triazoles (CHEBI:35727)
Synonyms  Source
hydroxy(oxo)(3-{[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]amino}phenyl)ammoniumPDBeChem
3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]anilinePDBeChem
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