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3-(3-nitrophenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID KR2QmPXTGrC
InChI InChI=1S/C21H18N2O7/c1-2-29-19(24)12-17(13-7-5-8-15(10-13)23(27)28)22-20(25)16-11-14-6-3-4-9-18(14)30-21(16)26/h3-11,17H,2,12H2,1H3,(H,22,25)
InChIKey WVKJIRWVJKELSW-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C21H18N2O7
Exact Mass 410.111401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwKaLGH2dYB
Name 3-(3-nitrophenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoic acid ethyl ester
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Formula C21H18N2O7
InChI InChI=1S/C21H18N2O7/c1-2-29-19(24)12-17(13-7-5-8-15(10-13)23(27)28)22-20(25)16-11-14-6-3-4-9-18(14)30-21(16)26/h3-11,17H,2,12H2,1H3,(H,22,25)
InChIKey WVKJIRWVJKELSW-UHFFFAOYSA-N
Molecular Weight 410.382 g/mol
SMILES N(C(C=1C(Oc2c(C1)cccc2)=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-00di-3921000000-ab4ee3ff97b2504e5967
Synonyms 3-[(2-ketochromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester Ethyl 3-(3-nitrophenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoate Ethyl 3-(3-nitrophenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate Ethyl 3-(3-nitrophenyl)-3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}propanoate
Wiley ID 1443453