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3-(4-Methylphenyl)-3-[[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID A7LVB67NlAx
InChI InChI=1S/C22H20N2O7/c1-3-30-20(25)12-18(14-6-4-13(2)5-7-14)23-21(26)17-11-15-10-16(24(28)29)8-9-19(15)31-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,23,26)
InChIKey ZJSMMNUIPOMDBP-UHFFFAOYSA-N
Mol Weight 424.41 g/mol
Molecular Formula C22H20N2O7
Exact Mass 424.127051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76LSXvzL6p4
Name 3-(4-Methylphenyl)-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-(p-tolyl)propionic acid ethyl ester Ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylamino]propanoate Ethyl 3-(4-methylphenyl)-3-[(6-nitro-2-oxochromene-3-carbonyl)amino]propanoate Ethyl 3-(4-methylphenyl)-3-{[(6-nitro-2-oxo-2H-chromen-3-yl)carbonyl]amino}propanoate Ethyl 3-[(6-nitro-2-oxo-chromene-3-carbonyl)amino]-3-(p-tolyl)propanoate
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Formula C22H20N2O7
InChI InChI=1S/C22H20N2O7/c1-3-30-20(25)12-18(14-6-4-13(2)5-7-14)23-21(26)17-11-15-10-16(24(28)29)8-9-19(15)31-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,23,26)
InChIKey ZJSMMNUIPOMDBP-UHFFFAOYSA-N
Molecular Weight 424.409 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(N(=O)=O)cc2)=O)=O)C(CC(=O)OCC)c1ccc(cc1)C
SPLASH splash10-0aor-3891000000-9870ab36e77f54df4c17
Wiley ID 1443039