2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide

SpectraBase Compound ID	7l3RqJSP542
InChI	InChI=1S/C21H18N10O5/c22-18-20(29-36-28-18)31-14(9-24-13-4-2-1-3-12(13)19(23)32)17(26-30-31)21(33)27-25-8-11-5-6-15-16(7-11)35-10-34-15/h1-8,24H,9-10H2,(H2,22,28)(H2,23,32)(H,27,33)/b25-8+
InChIKey	ULCBXBDTNZGXLL-ZNLRHDTNSA-N Google Search
Mol Weight	490.44 g/mol
Molecular Formula	C21H18N10O5
Exact Mass	490.146164 g/mol

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SpectraBase Spectrum ID	GEtjuTJHK2E
Name	2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H18N10O5/c22-18-20(29-36-28-18)31-14(9-24-13-4-2-1-3-12(13)19(23)32)17(26-30-31)21(33)27-25-8-11-5-6-15-16(7-11)35-10-34-15/h1-8,24H,9-10H2,(H2,22,28)(H2,23,32)(H,27,33)/b25-8+
InChIKey	ULCBXBDTNZGXLL-ZNLRHDTNSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_13101
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: D79960; Labnumber: NIG2-0272; SBI_ID: SBI-013104
Synonyms	2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[2-(1,3-benzodioxol-5-ylmethylene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Temperature	315 °C