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2-[(2,3-DIPHENYLQUINOXALIN-5-YLAMINO)-METHYLENE]-3-OXOBUTENOIC_ACID_ETHYLESTER;MAJOR_ISOMER
SpectraBase Compound ID Iac1v55CxSd
InChI InChI=1S/C27H23N3O3/c1-3-33-27(32)21(18(2)31)17-28-22-15-10-16-23-26(22)30-25(20-13-8-5-9-14-20)24(29-23)19-11-6-4-7-12-19/h4-17,28H,3H2,1-2H3/b21-17+
InChIKey LRRIMYJEFXCSMB-HEHNFIMWSA-N
Mol Weight 437.5 g/mol
Molecular Formula C27H23N3O3
Exact Mass 437.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wlZOJLLnof
Name (2E)-2-[[(2,3-diphenyl-5-quinoxalinyl)amino]methylidene]-3-oxobutanoic acid ethyl ester
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Formula C27H23N3O3
InChI InChI=1S/C27H23N3O3/c1-3-33-27(32)21(18(2)31)17-28-22-15-10-16-23-26(22)30-25(20-13-8-5-9-14-20)24(29-23)19-11-6-4-7-12-19/h4-17,28H,3H2,1-2H3/b21-17+
InChIKey LRRIMYJEFXCSMB-HEHNFIMWSA-N
Molecular Weight 437.499 g/mol
SMILES N(\C=C\(C(=O)OCC)C(=O)C)c1c2nc(c(-c3ccccc3)nc2ccc1)-c1ccccc1
SPLASH splash10-01wu-0029400000-7de1a12fb374e7c46597
Source of Spectrum AH-135-287-3
Synonyms (E)-2-acetyl-3-[(2,3-diphenylquinoxalin-5-yl)amino]acrylic acid ethyl ester Ethyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylene]-3-oxo-butanoate Ethyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylidene]-3-oxidanylidene-butanoate Ethyl (2E)-2-[[(2,3-diphenylquinoxalin-5-yl)amino]methylidene]-3-oxobutanoate
Wiley ID 1576448