4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-nitrophenyl)amino]-, 1,1-dioxide

SpectraBase Compound ID	IsQmILMpeox
InChI	InChI=1S/C15H9BrN2O5S/c16-13-14(19)11-3-1-2-4-12(11)24(22,23)15(13)17-9-5-7-10(8-6-9)18(20)21/h1-8,17H
InChIKey	BRCDSJODJIGOIV-UHFFFAOYSA-N Google Search
Mol Weight	409.21 g/mol
Molecular Formula	C15H9BrN2O5S
Exact Mass	407.941556 g/mol

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SpectraBase Spectrum ID	J21kg4IDWS5
Name	4H-1-Benzothiopyran-4-one, 3-bromo-2-[(4-nitrophenyl)amino]-, 1,1-dioxide
CAS Registry Number	116884-69-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H9BrN2O5S
InChI	InChI=1S/C15H9BrN2O5S/c16-13-14(19)11-3-1-2-4-12(11)24(22,23)15(13)17-9-5-7-10(8-6-9)18(20)21/h1-8,17H
InChIKey	BRCDSJODJIGOIV-UHFFFAOYSA-N
Molecular Weight	409.210 g/mol
SMILES	N(C=1S(c2c(C(=O)C1Br)cccc2)(=O)=O)c1ccc(N(=O)=O)cc1
SPLASH	splash10-014i-0090000000-181342df304d91dfa4eb
Source of Spectrum	KC-1988-1831-2
Synonyms	3-Bromo-2-(4-nitroanilino)-4H-1-benzothiopyran-4-one 1,1-dioxide 4H-3-bromo-4-oxo-2-(p-nitrophenylamino)-1-benzothiopyran 1,1-dioxide
Wiley ID	1372721