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3-[(6-chloro-3-pyridinyl)methylamino]-2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)-3-oxopropanoic acid ethyl ester
SpectraBase Compound ID KOcGG0v0azK
InChI InChI=1S/C21H19ClN4O6/c1-3-32-21(29)17(19(27)24-11-12-8-9-15(22)23-10-12)16-13-6-4-5-7-14(13)25(2)20(28)18(16)26(30)31/h4-10,17H,3,11H2,1-2H3,(H,24,27)
InChIKey ATZJWFFIBCIUOX-UHFFFAOYSA-N
Mol Weight 458.86 g/mol
Molecular Formula C21H19ClN4O6
Exact Mass 458.099312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HKzlfWYWV6R
Name 3-[(6-chloro-3-pyridinyl)methylamino]-2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)-3-oxopropanoic acid ethyl ester
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Formula C21H19ClN4O6
InChI InChI=1S/C21H19ClN4O6/c1-3-32-21(29)17(19(27)24-11-12-8-9-15(22)23-10-12)16-13-6-4-5-7-14(13)25(2)20(28)18(16)26(30)31/h4-10,17H,3,11H2,1-2H3,(H,24,27)
InChIKey ATZJWFFIBCIUOX-UHFFFAOYSA-N
Molecular Weight 458.858 g/mol
SMILES N(C(C(C1=C(C(N(C)c2c1cccc2)=O)N(=O)=O)C(=O)OCC)=O)Cc1cnc(cc1)Cl
SPLASH splash10-066u-0509500000-f429651c16f3f83adec7
Source of Spectrum AJ-43-125-13
Synonyms 3-[(6-chloro-3-pyridyl)methylamino]-3-keto-2-(2-keto-1-methyl-3-nitro-4-quinolyl)propionic acid ethyl ester Ethyl 3-[(6-chloranylpyridin-3-yl)methylamino]-2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)-3-oxidanylidene-propanoate Ethyl 3-[(6-chloro-3-pyridyl)methylamino]-2-(1-methyl-3-nitro-2-oxo-4-quinolyl)-3-oxo-propanoate Ethyl 3-[(6-chloropyridin-3-yl)methylamino]-2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)-3-oxopropanoate
Wiley ID 1593804