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3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
SpectraBase Compound ID JRPbLZbZYPN
InChI InChI=1S/C21H17BrN2O7/c1-2-30-19(25)11-17(12-4-3-5-15(9-12)24(28)29)23-20(26)16-10-13-8-14(22)6-7-18(13)31-21(16)27/h3-10,17H,2,11H2,1H3,(H,23,26)
InChIKey SVXICWVIPBPHJK-UHFFFAOYSA-N
Mol Weight 489.28 g/mol
Molecular Formula C21H17BrN2O7
Exact Mass 488.021914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1YOIBNfAVE
Name 3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
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Formula C21H17BrN2O7
InChI InChI=1S/C21H17BrN2O7/c1-2-30-19(25)11-17(12-4-3-5-15(9-12)24(28)29)23-20(26)16-10-13-8-14(22)6-7-18(13)31-21(16)27/h3-10,17H,2,11H2,1H3,(H,23,26)
InChIKey SVXICWVIPBPHJK-UHFFFAOYSA-N
Molecular Weight 489.278 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2)Br)=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-0udr-3790100000-8b08c72e24b361b54bb1
Synonyms 3-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Wiley ID 1443452