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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[[4-(ethoxycarbonyl)phenyl]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-[[[4-(ethoxycarbonyl)phenyl]amino]methyl]-, ethyl ester
SpectraBase Compound ID CXakDlzFWPQ
InChI InChI=1S/C17H19N7O5/c1-3-27-16(25)10-5-7-11(8-6-10)19-9-12-13(17(26)28-4-2)20-23-24(12)15-14(18)21-29-22-15/h5-8,19H,3-4,9H2,1-2H3,(H2,18,21)
InChIKey VZALHWFVGPEZET-UHFFFAOYSA-N
Mol Weight 401.38 g/mol
Molecular Formula C17H19N7O5
Exact Mass 401.144767 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CY5j15FphJ6
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethoxycarbonylanilino)methyl]-4-triazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19N7O5
InChI InChI=1S/C17H19N7O5/c1-3-27-16(25)10-5-7-11(8-6-10)19-9-12-13(17(26)28-4-2)20-23-24(12)15-14(18)21-29-22-15/h5-8,19H,3-4,9H2,1-2H3,(H2,18,21)
InChIKey VZALHWFVGPEZET-UHFFFAOYSA-N
Molecular Weight 401.383 g/mol
SMILES N(Cc1[n](-c2c(non2)N)nnc1C(=O)OCC)c1ccc(C(=O)OCC)cc1
SPLASH splash10-004i-2910000000-97528fe24bd2206c697b
Synonyms 1-(4-aminofurazan-3-yl)-5-[(4-carbethoxyanilino)methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-ethoxycarbonylanilino)methyl]triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[(4-ethoxycarbonylphenyl)amino]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1445015