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Benzoic acid, 2-[[[5-[(3-chlorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]amino]-, ethyl ester
SpectraBase Compound ID JdUwqdnViag
InChI InChI=1S/C26H21ClN4O4/c1-2-35-26(34)20-13-6-7-14-22(20)29-25(33)21-16-28-31(19-11-4-3-5-12-19)23(21)30-24(32)17-9-8-10-18(27)15-17/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKey SKKOLNZZVPMZGS-UHFFFAOYSA-N
Mol Weight 488.93 g/mol
Molecular Formula C26H21ClN4O4
Exact Mass 488.125133 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5x5nkTEpffS
Name Benzoic acid, 2-[[[5-[(3-chlorobenzoyl)amino]-1-phenyl-1H-pyrazol-4-yl]carbonyl]amino]-, ethyl ester
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Formula C26H21ClN4O4
InChI InChI=1S/C26H21ClN4O4/c1-2-35-26(34)20-13-6-7-14-22(20)29-25(33)21-16-28-31(19-11-4-3-5-12-19)23(21)30-24(32)17-9-8-10-18(27)15-17/h3-16H,2H2,1H3,(H,29,33)(H,30,32)
InChIKey SKKOLNZZVPMZGS-UHFFFAOYSA-N
Molecular Weight 488.931 g/mol
SMILES N(C(c1c([n](nc1)-c1ccccc1)NC(c1cc(Cl)ccc1)=O)=O)c1c(C(=O)OCC)cccc1
SPLASH splash10-014i-0903000000-c0419a788e5a3867295a
Source of Spectrum IY-2-4976-2
Synonyms Ethyl 2-{5-[(3-chlorobenzene)amido]-1-phenyl-1H-pyrazole-4-amido}benzoate 2-[[[5-[[(3-chlorophenyl)-oxomethyl]amino]-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid ethyl ester Ethyl 2-[[5-[(3-chlorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]amino]benzoate Ethyl 2-[[5-[(3-chlorobenzoyl)amino]-1-phenyl-pyrazole-4-carbonyl]amino]benzoate Ethyl 2-[[5-[(3-chlorophenyl)carbonylamino]-1-phenyl-pyrazol-4-yl]carbonylamino]benzoate
Wiley ID 1657745