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N-[(1S)-(Carboxymethyl)-2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,3-didehydro-6-(4-nitrophenyl)-4-oxopiperidine
SpectraBase Compound ID 4LibbTx4Qea
InChI InChI=1S/C23H23BrN2O7/c1-31-21-11-15(18(24)13-22(21)32-2)10-20(23(28)33-3)25-9-8-17(27)12-19(25)14-4-6-16(7-5-14)26(29)30/h4-9,11,13,19-20H,10,12H2,1-3H3/t19?,20-/m0/s1
InChIKey HVZIGRAVEQYTHI-ANYOKISRSA-N
Mol Weight 519.35 g/mol
Molecular Formula C23H23BrN2O7
Exact Mass 518.068864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACSxbOX2acl
Name N-[(1S)-(Carboxymethyl)-2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2,3-didehydro-6-(4-nitrophenyl)-4-oxopiperidine
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Formula C23H23BrN2O7
InChI InChI=1S/C23H23BrN2O7/c1-31-21-11-15(18(24)13-22(21)32-2)10-20(23(28)33-3)25-9-8-17(27)12-19(25)14-4-6-16(7-5-14)26(29)30/h4-9,11,13,19-20H,10,12H2,1-3H3/t19?,20-/m0/s1
InChIKey HVZIGRAVEQYTHI-ANYOKISRSA-N
Molecular Weight 519.348 g/mol
SMILES [C@@](N1C(CC(C=C1)=O)c1ccc(N(=O)=O)cc1)(Cc1c(cc(c(c1)OC)OC)Br)(C(=O)OC)[H]
SPLASH splash10-0059-0190000000-e53e98882770b760bf5e
Source of Spectrum J-63-4944-19
Synonyms (2-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-6-(4-nitrophenyl)-4-oxo-3,4-dihydro-1(2H)-pyridinyl)acetic acid (S)-3-(2-Bromo-4,5-dimethoxy-phenyl)-2-[2-(4-nitro-phenyl)-4-oxo-3,4-dihydro-2H-pyridin-1-yl]-propionic acid methyl ester (2S)-3-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(4-nitrophenyl)-4-oxo-2,3-dihydropyridin-1-yl]propanoic acid methyl ester Methyl (2S)-3-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(4-nitrophenyl)-4-oxo-2,3-dihydropyridin-1-yl]propanoate Methyl (2S)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-[2-(4-nitrophenyl)-4-oxo-2,3-dihydropyridin-1-yl]propanoate Methyl (2S)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-[2-(4-nitrophenyl)-4-oxidanylidene-2,3-dihydropyridin-1-yl]propanoate
Wiley ID 1401625