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1,1-Dimethyl 2-ethyl 3-[2-(Anilinocarbonyl)hydrazono]-1-[3-methyl-5-oxo-1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butane-1,1,2-tricarboxylate
SpectraBase Compound ID 6zlxqcF2ZjX
InChI InChI=1S/C28H30ClN5O8/c1-6-42-24(36)22(16(2)31-32-27(39)30-19-10-8-7-9-11-19)28(25(37)40-4,26(38)41-5)21-17(3)33-34(23(21)35)20-14-12-18(29)13-15-20/h7-15,21-22H,6H2,1-5H3,(H2,30,32,39)/b31-16+
InChIKey VSVMSYCJOVXVGZ-WCMJOSRZSA-N
Mol Weight 600.03 g/mol
Molecular Formula C28H30ClN5O8
Exact Mass 599.178291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2u4me3EHHko
Name 1,1-Dimethyl 2-ethyl 3-[2-(Anilinocarbonyl)hydrazono]-1-[3-methyl-5-oxo-1-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]butane-1,1,2-tricarboxylate
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Formula C28H30ClN5O8
InChI InChI=1S/C28H30ClN5O8/c1-6-42-24(36)22(16(2)31-32-27(39)30-19-10-8-7-9-11-19)28(25(37)40-4,26(38)41-5)21-17(3)33-34(23(21)35)20-14-12-18(29)13-15-20/h7-15,21-22H,6H2,1-5H3,(H2,30,32,39)/b31-16+
InChIKey VSVMSYCJOVXVGZ-WCMJOSRZSA-N
Molecular Weight 600.028 g/mol
SMILES N(C(Nc1ccccc1)=O)\N=C\(C(C(C1C(N(c2ccc(cc2)Cl)N=C1C)=O)(C(=O)OC)C(=O)OC)C(=O)OCC)C
SPLASH splash10-0a4i-0000091000-f6fff4f66ccade276b65
Source of Spectrum C5-2002-1551-7
Synonyms 2-Ethyl 1,1-dimethyl (3E)-3-[(anilinocarbonyl)hydrazono]-1-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-1,1,2-butanetricarboxylate
Wiley ID 1614859