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1,3-Benzenedicarboxylic acid, 5-[[1-[2-(2-chloro-3-pyridinyl)hydrazinyl]-3-ethoxy-3-oxopropylidene]amino]-, dimethyl ester
SpectraBase Compound ID 5faIF7Sp3yS
InChI InChI=1S/C20H21ClN4O6/c1-4-31-17(26)11-16(25-24-15-6-5-7-22-18(15)21)23-14-9-12(19(27)29-2)8-13(10-14)20(28)30-3/h5-10,24H,4,11H2,1-3H3,(H,23,25)
InChIKey AZBHLNKBGOUAJJ-UHFFFAOYSA-N
Mol Weight 448.86 g/mol
Molecular Formula C20H21ClN4O6
Exact Mass 448.114962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgSokUZczAn
Name 1,3-Benzenedicarboxylic acid, 5-[[1-[2-(2-chloro-3-pyridinyl)hydrazinyl]-3-ethoxy-3-oxopropylidene]amino]-, dimethyl ester
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Formula C20H21ClN4O6
InChI InChI=1S/C20H21ClN4O6/c1-4-31-17(26)11-16(25-24-15-6-5-7-22-18(15)21)23-14-9-12(19(27)29-2)8-13(10-14)20(28)30-3/h5-10,24H,4,11H2,1-3H3,(H,23,25)
InChIKey AZBHLNKBGOUAJJ-UHFFFAOYSA-N
Molecular Weight 448.863 g/mol
SMILES N(\C(CC(=O)OCC)=N\c1cc(cc(C(OC)=O)c1)C(=O)OC)Nc1cccnc1Cl
SPLASH splash10-054k-2734900000-9606f120eb86916dc851
Source of Spectrum JX-2015-4-595
Synonyms Dimethyl 5-((1-(2-(2-chloropyridin-3-yl)hydrazinyl)-3-ethoxy-3-oxopropylidene)amino)isophthalate 5-[[1-[(2-chloro-3-pyridinyl)hydrazo]-3-ethoxy-3-oxopropylidene]amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[[1-[2-(2-chloropyridin-3-yl)hydrazinyl]-3-ethoxy-3-oxopropylidene]amino]benzene-1,3-dicarboxylate Dimethyl 5-[[1-[2-(2-chloro-3-pyridyl)hydrazino]-3-ethoxy-3-oxo-propylidene]amino]benzene-1,3-dicarboxylate Dimethyl 5-[[1-[2-(2-chloranylpyridin-3-yl)hydrazinyl]-3-ethoxy-3-oxidanylidene-propylidene]amino]benzene-1,3-dicarboxylate
Wiley ID 1726021