3,5-Dinitro-benzoic acid 3-[[2-(3-bromo-phenoxy)-acetyl]-hydrazonomethyl]-phenyl ester

SpectraBase Compound ID	7YeCMKqznOO
InChI	InChI=1S/C22H15BrN4O8/c23-16-4-2-5-19(10-16)34-13-21(28)25-24-12-14-3-1-6-20(7-14)35-22(29)15-8-17(26(30)31)11-18(9-15)27(32)33/h1-12H,13H2,(H,25,28)/b24-12+
InChIKey	QUKAJEOJORFRAJ-WYMPLXKRSA-N Google Search
Mol Weight	543.29 g/mol
Molecular Formula	C22H15BrN4O8
Exact Mass	542.007326 g/mol

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SpectraBase Spectrum ID	BNSgPS11ynA
Name	3,5-Dinitro-benzoic acid 3-[[2-(3-bromo-phenoxy)-acetyl]-hydrazonomethyl]-phenyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	542.007326451 u
Formula	C22H15BrN4O8
InChI	InChI=1S/C22H15BrN4O8/c23-16-4-2-5-19(10-16)34-13-21(28)25-24-12-14-3-1-6-20(7-14)35-22(29)15-8-17(26(30)31)11-18(9-15)27(32)33/h1-12H,13H2,(H,25,28)/b24-12+
InChIKey	QUKAJEOJORFRAJ-WYMPLXKRSA-N
Molecular Weight	543.286 g/mol
SMILES	C=1C=C(C=C(C1)OCC(N\N=C\C=1C=CC=C(C1)OC(=O)C=1C=C(C=C(C1)N(=O)=O)N(=O)=O)=O)Br