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

View entire compound with spectra: 2 NMR

2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(4-methoxybenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
SpectraBase Compound ID 1nvlz7QKpyY
InChI InChI=1S/C21H20N10O4/c1-34-13-8-6-12(7-9-13)10-25-27-21(33)17-16(31(30-26-17)20-18(22)28-35-29-20)11-24-15-5-3-2-4-14(15)19(23)32/h2-10,24H,11H2,1H3,(H2,22,28)(H2,23,32)(H,27,33)/b25-10+
InChIKey GTGJYKMILWPYOY-KIBLKLHPSA-N
Mol Weight 476.46 g/mol
Molecular Formula C21H20N10O4
Exact Mass 476.166899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E39LN2UgeQz
Name 2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(4-methoxybenzylidene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.166899160 u
Formula C21H20N10O4
InChI InChI=1S/C21H20N10O4/c1-34-13-8-6-12(7-9-13)10-25-27-21(33)17-16(31(30-26-17)20-18(22)28-35-29-20)11-24-15-5-3-2-4-14(15)19(23)32/h2-10,24H,11H2,1H3,(H2,22,28)(H2,23,32)(H,27,33)/b25-10+
InChIKey GTGJYKMILWPYOY-KIBLKLHPSA-N
Molecular Weight 476.457 g/mol
SMILES N(CC1=C(C(N\N=C\C2=CC=C(C=C2)OC)=O)N=NN1C=1C(=NON1)N)C1=C(C(=O)N)C=CC=C1