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3-(4-Methoxyphenyl)-3-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID Lcy9p6MGpUb
InChI InChI=1S/C22H20N2O8/c1-3-31-20(25)12-18(13-4-7-16(30-2)8-5-13)23-21(26)17-11-14-10-15(24(28)29)6-9-19(14)32-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,23,26)
InChIKey VTRIRDIDYSZUHV-UHFFFAOYSA-N
Mol Weight 440.41 g/mol
Molecular Formula C22H20N2O8
Exact Mass 440.121966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k8E3HnrZj
Name 3-(4-Methoxyphenyl)-3-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid ethyl ester
Alternate Name(s) 3-[(2-keto-6-nitro-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester Ethyl 3-(4-methoxyphenyl)-3-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Ethyl 3-(4-methoxyphenyl)-3-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]propanoate Ethyl 3-(4-methoxyphenyl)-3-{[(6-nitro-2-oxo-2H-chromen-3-yl)carbonyl]amino}propanoate
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Formula C22H20N2O8
InChI InChI=1S/C22H20N2O8/c1-3-31-20(25)12-18(13-4-7-16(30-2)8-5-13)23-21(26)17-11-14-10-15(24(28)29)6-9-19(14)32-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,23,26)
InChIKey VTRIRDIDYSZUHV-UHFFFAOYSA-N
Molecular Weight 440.408 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(N(=O)=O)cc2)=O)=O)C(CC(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-00di-3961000000-8eaebc812a6162df6ca4
Wiley ID 1443410