Ethyl 2-[2-Amino-3,6-dicyano-4-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]benzoate

SpectraBase Compound ID	GzQOJ53omJP
InChI	InChI=1S/C27H17N3O5/c1-2-34-26(32)18-9-5-4-8-17(18)25(31)23-16(13-28)12-19(21(14-29)24(23)30)20-11-15-7-3-6-10-22(15)35-27(20)33/h3-12H,2,30H2,1H3
InChIKey	RUIJBFNABRNAGQ-UHFFFAOYSA-N Google Search
Mol Weight	463.45 g/mol
Molecular Formula	C27H17N3O5
Exact Mass	463.116821 g/mol

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SpectraBase Spectrum ID	8ThRupJ7yrB
Name	Ethyl 2-[2-Amino-3,6-dicyano-4-(2-oxo-2H-1-benzopyran-3-yl)benzoyl]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H17N3O5
InChI	InChI=1S/C27H17N3O5/c1-2-34-26(32)18-9-5-4-8-17(18)25(31)23-16(13-28)12-19(21(14-29)24(23)30)20-11-15-7-3-6-10-22(15)35-27(20)33/h3-12H,2,30H2,1H3
InChIKey	RUIJBFNABRNAGQ-UHFFFAOYSA-N
Literature Reference DOI	10.1002/hlca.201400287
Molecular Weight	463.449 g/mol
SMILES	Nc1c(c(cc(C2=Cc3c(OC2=O)cccc3)c1C#N)C#N)C(c1c(C(=O)OCC)cccc1)=O
SPLASH	splash10-004i-1922200000-f84cae25612a0f90242a
Source of Spectrum	H-98-574-2g
Synonyms	Ethyl 2-(2-amino-3,6-dicyano-4-(2-oxo-2H-chromen-3-yl)benzoyl)benzoate
Wiley ID	1786340