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3-[(6,8-dichloro-2-keto-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
SpectraBase Compound ID 60jnjfiuPrA
InChI InChI=1S/C21H16Cl2N2O7/c1-2-31-18(26)10-17(11-4-3-5-14(7-11)25(29)30)24-20(27)15-8-12-6-13(22)9-16(23)19(12)32-21(15)28/h3-9,17H,2,10H2,1H3,(H,24,27)
InChIKey PJVBMTDAHVNNFB-UHFFFAOYSA-N
Mol Weight 479.27 g/mol
Molecular Formula C21H16Cl2N2O7
Exact Mass 478.033456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Be6tHbACIWY
Name 3-[(6,8-dichloro-2-keto-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propionic acid ethyl ester
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Formula C21H16Cl2N2O7
InChI InChI=1S/C21H16Cl2N2O7/c1-2-31-18(26)10-17(11-4-3-5-14(7-11)25(29)30)24-20(27)15-8-12-6-13(22)9-16(23)19(12)32-21(15)28/h3-9,17H,2,10H2,1H3,(H,24,27)
InChIKey PJVBMTDAHVNNFB-UHFFFAOYSA-N
Molecular Weight 479.272 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2Cl)Cl)=O)=O)C(CC(=O)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-000f-2591100000-9db43287fc7552e97d15
Synonyms 3-[[(6,8-dichloro-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3-nitrophenyl)propanoic acid ethyl ester Ethyl 3-[(6,8-dichloro-2-oxo-chromene-3-carbonyl)amino]-3-(3-nitrophenyl)propanoate Ethyl 3-[[6,8-bis(chloranyl)-2-oxidanylidene-chromen-3-yl]carbonylamino]-3-(3-nitrophenyl)propanoate Ethyl 3-{[(6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Wiley ID 1443445