2-[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole-3-amido]benzoic acid

SpectraBase Compound ID	ECWOtayRHnJ
InChI	InChI=1S/C12H9N7O3/c20-10(15-8-4-2-1-3-7(8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)
InChIKey	NQPQDFFBKMSEHQ-UHFFFAOYSA-N Google Search
Mol Weight	299.25 g/mol
Molecular Formula	C12H9N7O3
Exact Mass	299.076687 g/mol

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SpectraBase Spectrum ID	9ijxfYO9RiN
Name	2-[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole-3-amido]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H9N7O3
InChI	InChI=1S/C12H9N7O3/c20-10(15-8-4-2-1-3-7(8)11(21)22)9-16-12(18-17-9)19-5-13-14-6-19/h1-6H,(H,15,20)(H,21,22)(H,16,17,18)
InChIKey	NQPQDFFBKMSEHQ-UHFFFAOYSA-N
Molecular Weight	299.250 g/mol
SMILES	N(c1ccccc1C(=O)O)C(c1n[nH]c(n1)-[n]1cnnc1)=O
SPLASH	splash10-0fr5-9730000000-fc055b6ab9dd67fe985f
Source of Spectrum	IY-2-5178-9
Synonyms	Benzoic acid, 2-[[[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-3-yl]carbonyl]amino]- 2-[[oxo-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzoic acid 2-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]carbonylamino]benzoic acid
Wiley ID	1659772