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3-[(2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
SpectraBase Compound ID EjBc2VOlbrI
InChI InChI=1S/C22H20N2O8/c1-3-31-19(25)12-17(13-6-4-8-15(10-13)24(28)29)23-21(26)16-11-14-7-5-9-18(30-2)20(14)32-22(16)27/h4-11,17H,3,12H2,1-2H3,(H,23,26)
InChIKey PKOQIOVAKQYPJR-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 EqIkmphFKeU
Name 3-[(2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
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Formula C22H20N2O8
InChI InChI=1S/C22H20N2O8/c1-3-31-19(25)12-17(13-6-4-8-15(10-13)24(28)29)23-21(26)16-11-14-7-5-9-18(30-2)20(14)32-22(16)27/h4-11,17H,3,12H2,1-2H3,(H,23,26)
InChIKey PKOQIOVAKQYPJR-UHFFFAOYSA-N
Molecular Weight 440.408 g/mol
SMILES N(C(C=1C(Oc2c(C1)cccc2OC)=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-0udr-4591000000-9e6ace1532d03386f0db
Synonyms 3-[[(8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-[(8-methoxy-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[(8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Wiley ID 1443423