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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-4-methylphenyl)amino]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(3-bromo-4-methylphenyl)amino]methyl]-, ethyl ester
SpectraBase Compound ID 4PjsBrrgT7K
InChI InChI=1S/C15H16BrN7O3/c1-3-25-15(24)12-11(7-18-9-5-4-8(2)10(16)6-9)23(22-19-12)14-13(17)20-26-21-14/h4-6,18H,3,7H2,1-2H3,(H2,17,20)
InChIKey UJHIADNNLJNJLM-UHFFFAOYSA-N
Mol Weight 422.24 g/mol
Molecular Formula C15H16BrN7O3
Exact Mass 421.0498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID m8e7lbj9s
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methylanilino)methyl]-4-triazolecarboxylic acid ethyl ester
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Formula C15H16BrN7O3
InChI InChI=1S/C15H16BrN7O3/c1-3-25-15(24)12-11(7-18-9-5-4-8(2)10(16)6-9)23(22-19-12)14-13(17)20-26-21-14/h4-6,18H,3,7H2,1-2H3,(H2,17,20)
InChIKey UJHIADNNLJNJLM-UHFFFAOYSA-N
Molecular Weight 422.243 g/mol
SMILES Nc1c(-[n]2c(CNc3cc(Br)c(cc3)C)c(nn2)C(=O)OCC)non1
SPLASH splash10-0f6t-3951100000-d621cdac726caaf28739
Synonyms 1-(4-aminofurazan-3-yl)-5-[(3-bromo-4-methyl-anilino)methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(3-bromo-4-methyl-anilino)methyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(3-bromanyl-4-methyl-phenyl)amino]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1461231