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4-[[2-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoic acid ethyl ester
SpectraBase Compound ID KrZLt8bpAnE
InChI InChI=1S/C28H25BrN2O5/c1-3-35-27(33)19-7-13-22(14-8-19)30-24-17-25(18-5-11-21(29)12-6-18)31(26(24)32)23-15-9-20(10-16-23)28(34)36-4-2/h5-17,25,30H,3-4H2,1-2H3
InChIKey POQASYYYFNQJRH-UHFFFAOYSA-N
Mol Weight 549.42 g/mol
Molecular Formula C28H25BrN2O5
Exact Mass 548.094685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XiCNM4UsK
Name 4-[[2-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoic acid ethyl ester
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Formula C28H25BrN2O5
InChI InChI=1S/C28H25BrN2O5/c1-3-35-27(33)19-7-13-22(14-8-19)30-24-17-25(18-5-11-21(29)12-6-18)31(26(24)32)23-15-9-20(10-16-23)28(34)36-4-2/h5-17,25,30H,3-4H2,1-2H3
InChIKey POQASYYYFNQJRH-UHFFFAOYSA-N
Molecular Weight 549.421 g/mol
SMILES N(C=1C(N(C(C1)c1ccc(cc1)Br)c1ccc(C(=O)OCC)cc1)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0uxs-4932010000-5f1b7f26765ef310be34
Synonyms 4-[[5-(4-bromophenyl)-1-(4-carbethoxyphenyl)-2-keto-3-pyrrolin-3-yl]amino]benzoic acid ethyl ester Ethyl 4-[[2-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)-5-oxidanylidene-2H-pyrrol-4-yl]amino]benzoate Ethyl 4-[[2-(4-bromophenyl)-1-(4-ethoxycarbonylphenyl)-5-oxo-2H-pyrrol-4-yl]amino]benzoate
Wiley ID 1443813