1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(2-ethoxycarbonylanilino)methyl]-4-triazolecarboxylic acid ethyl ester

SpectraBase Compound ID	HpuksruIuvB
InChI	InChI=1S/C17H19N7O5/c1-3-27-16(25)10-7-5-6-8-11(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	HRTHPTWCEDUDLJ-UHFFFAOYSA-N Google Search
Mol Weight	401.38 g/mol
Molecular Formula	C17H19N7O5
Exact Mass	401.144767 g/mol

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SpectraBase Spectrum ID	B7ne9w5VxLD
Name	1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(2-ethoxycarbonylanilino)methyl]-4-triazolecarboxylic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	401.144766735 u
Formula	C17H19N7O5
InChI	InChI=1S/C17H19N7O5/c1-3-27-16(25)10-7-5-6-8-11(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	HRTHPTWCEDUDLJ-UHFFFAOYSA-N
Molecular Weight	401.383 g/mol
SMILES	C=1C=CC(=C(NCC=2N(C=3C(=NON3)N)N=NC2C(=O)OCC)C1)C(=O)OCC