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3-[(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
SpectraBase Compound ID KOsmqNm79MU
InChI InChI=1S/C22H19BrN2O8/c1-3-32-19(26)11-17(12-5-4-6-15(8-12)25(29)30)24-21(27)16-9-13-7-14(23)10-18(31-2)20(13)33-22(16)28/h4-10,17H,3,11H2,1-2H3,(H,24,27)
InChIKey FEAAEVWQTXXDMD-UHFFFAOYSA-N
Mol Weight 519.3 g/mol
Molecular Formula C22H19BrN2O8
Exact Mass 518.032479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzIzdutk9cz
Name 3-[(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
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Formula C22H19BrN2O8
InChI InChI=1S/C22H19BrN2O8/c1-3-32-19(26)11-17(12-5-4-6-15(8-12)25(29)30)24-21(27)16-9-13-7-14(23)10-18(31-2)20(13)33-22(16)28/h4-10,17H,3,11H2,1-2H3,(H,24,27)
InChIKey FEAAEVWQTXXDMD-UHFFFAOYSA-N
Molecular Weight 519.304 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2OC)Br)=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-001c-8690000000-c62b0efdda15866401c7
Synonyms 3-[[(6-bromo-8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[(6-bromo-8-methoxy-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[(6-bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Wiley ID 1443427