2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl]-N'-{(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}acetohydrazide

SpectraBase Compound ID	BMkKZJMJ7TT
InChI	InChI=1S/C18H16N12O5/c1-32-11-6-9(2-3-10(11)33-5-4-19)7-22-24-12(31)8-30-18(14-16(21)29-35-27-14)23-17(25-30)13-15(20)28-34-26-13/h2-3,6-7H,5,8H2,1H3,(H2,20,28)(H2,21,29)(H,24,31)/b22-7+
InChIKey	FDISGZOCKGTJPR-QPJQQBGISA-N Google Search
Mol Weight	480.41 g/mol
Molecular Formula	C18H16N12O5
Exact Mass	480.136662 g/mol

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SpectraBase Spectrum ID	gApJS6Fmuc
Name	2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl]-N'-{(E)-[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}acetohydrazide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C18H16N12O5/c1-32-11-6-9(2-3-10(11)33-5-4-19)7-22-24-12(31)8-30-18(14-16(21)29-35-27-14)23-17(25-30)13-15(20)28-34-26-13/h2-3,6-7H,5,8H2,1H3,(H2,20,28)(H2,21,29)(H,24,31)/b22-7+
InChIKey	FDISGZOCKGTJPR-QPJQQBGISA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_15909
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D08933; Labnumber: MVERET-0818; SBI_ID: SBI-015912
Synonyms	2-[3,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-1-yl]-N'-{[4-(cyanomethoxy)-3-methoxyphenyl]methylidene}acetohydrazide
Temperature	308 °C