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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[(2,4-dimethoxyphenyl)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-[[(2,4-dimethoxyphenyl)amino]methyl]-, ethyl ester
SpectraBase Compound ID KKT1evZ5YQq
InChI InChI=1S/C16H19N7O5/c1-4-27-16(24)13-11(23(22-19-13)15-14(17)20-28-21-15)8-18-10-6-5-9(25-2)7-12(10)26-3/h5-7,18H,4,8H2,1-3H3,(H2,17,20)
InChIKey SQBRFAREFISTIM-UHFFFAOYSA-N
Mol Weight 389.37 g/mol
Molecular Formula C16H19N7O5
Exact Mass 389.144767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FEjGsbZeDo
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]-4-triazolecarboxylic acid ethyl ester
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Formula C16H19N7O5
InChI InChI=1S/C16H19N7O5/c1-4-27-16(24)13-11(23(22-19-13)15-14(17)20-28-21-15)8-18-10-6-5-9(25-2)7-12(10)26-3/h5-7,18H,4,8H2,1-3H3,(H2,17,20)
InChIKey SQBRFAREFISTIM-UHFFFAOYSA-N
Molecular Weight 389.372 g/mol
SMILES Nc1c(-[n]2c(CNc3c(cc(cc3)OC)OC)c(nn2)C(=O)OCC)non1
SPLASH splash10-0gbi-1931000000-7bfd5a07a49855baf4b7
Synonyms 1-(4-aminofurazan-3-yl)-5-[(2,4-dimethoxyanilino)methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2,4-dimethoxyanilino)methyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(2,4-dimethoxyphenyl)amino]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1453766