6-Amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

SpectraBase Compound ID	LeiBRRSL1ae
InChI	InChI=1S/C22H17BrN4O5/c1-2-29-16-7-11(5-13(23)20(16)28)17-12(8-24)21(25)32-22-18(17)19(26-27-22)10-3-4-14-15(6-10)31-9-30-14/h3-7,17,28H,2,9,25H2,1H3,(H,26,27)
InChIKey	CQYQABPTXGOLRY-UHFFFAOYSA-N Google Search
Mol Weight	497.31 g/mol
Molecular Formula	C22H17BrN4O5
Exact Mass	496.038233 g/mol

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SpectraBase Spectrum ID	ETxgLTU4Eta
Name	6-Amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H17BrN4O5
InChI	InChI=1S/C22H17BrN4O5/c1-2-29-16-7-11(5-13(23)20(16)28)17-12(8-24)21(25)32-22-18(17)19(26-27-22)10-3-4-14-15(6-10)31-9-30-14/h3-7,17,28H,2,9,25H2,1H3,(H,26,27)
InChIKey	CQYQABPTXGOLRY-UHFFFAOYSA-N
Molecular Weight	497.305 g/mol
SMILES	Oc1c(cc(C2c3c(OC(=C2C#N)N)[nH]nc3-c2cc3OCOc3cc2)cc1OCC)Br
SPLASH	splash10-0fsi-9570100000-8e41045388203bd59e97
Synonyms	6-Amino-3-(1,3-benzodioxol-5-yl)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-3-(1,3-benzodioxol-5-yl)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Wiley ID	1455307