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

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2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(4-pyridinylmethylene)hydrazino]carbonyl}-1H-1,2,3-triazol-5-yl)methyl]amino}benzamide
SpectraBase Compound ID 61YVofex8wQ
InChI InChI=1S/C19H17N11O3/c20-16-18(28-33-27-16)30-14(10-23-13-4-2-1-3-12(13)17(21)31)15(25-29-30)19(32)26-24-9-11-5-7-22-8-6-11/h1-9,23H,10H2,(H2,20,27)(H2,21,31)(H,26,32)/b24-9+
InChIKey IPHCEWNAJYTECP-PGGKNCGUSA-N
Mol Weight 447.42 g/mol
Molecular Formula C19H17N11O3
Exact Mass 447.151583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dt07j2gFZbQ
Name 2-{[(1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-(4-pyridinylmethylene)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 447.151583448 u
Formula C19H17N11O3
InChI InChI=1S/C19H17N11O3/c20-16-18(28-33-27-16)30-14(10-23-13-4-2-1-3-12(13)17(21)31)15(25-29-30)19(32)26-24-9-11-5-7-22-8-6-11/h1-9,23H,10H2,(H2,20,27)(H2,21,31)(H,26,32)/b24-9+
InChIKey IPHCEWNAJYTECP-PGGKNCGUSA-N
Molecular Weight 447.419 g/mol
SMILES N(CC1=C(C(N\N=C\C2=CC=NC=C2)=O)N=NN1C=1C(=NON1)N)C1=C(C(=O)N)C=CC=C1