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Benzoic acid, 4-[[[2-[[[3-(5-bromo-2-furanyl)-1,2,4-oxadiazol-5-yl]carbonyl]amino]ethyl]amino]carbonyl]-, methyl ester
SpectraBase Compound ID HxQ7rm6JRC
InChI InChI=1S/C18H15BrN4O6/c1-27-18(26)11-4-2-10(3-5-11)15(24)20-8-9-21-16(25)17-22-14(23-29-17)12-6-7-13(19)28-12/h2-7H,8-9H2,1H3,(H,20,24)(H,21,25)
InChIKey PTACRCGNRKSDAG-UHFFFAOYSA-N
Mol Weight 463.24 g/mol
Molecular Formula C18H15BrN4O6
Exact Mass 462.017497 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxTRO19EBgU
Name Benzoic acid, 4-[[[2-[[[3-(5-bromo-2-furanyl)-1,2,4-oxadiazol-5-yl]carbonyl]amino]ethyl]amino]carbonyl]-, methyl ester
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Formula C18H15BrN4O6
InChI InChI=1S/C18H15BrN4O6/c1-27-18(26)11-4-2-10(3-5-11)15(24)20-8-9-21-16(25)17-22-14(23-29-17)12-6-7-13(19)28-12/h2-7H,8-9H2,1H3,(H,20,24)(H,21,25)
InChIKey PTACRCGNRKSDAG-UHFFFAOYSA-N
Molecular Weight 463.244 g/mol
SMILES N(C(=O)c1nc(no1)-c1oc(cc1)Br)CCNC(=O)c1ccc(cc1)C(=O)OC
SPLASH splash10-03di-1910000000-f80c0a387702ed8b93af
Source of Spectrum IY-2-5033-1
Synonyms Methyl 4-[(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)carbamoyl]benzoate 4-[[2-[[[3-(5-bromo-2-furanyl)-1,2,4-oxadiazol-5-yl]-oxomethyl]amino]ethylamino]-oxomethyl]benzoic acid methyl ester Methyl 4-[2-[[3-(5-bromofuran-2-yl)-1,2,4-oxadiazole-5-carbonyl]amino]ethylcarbamoyl]benzoate Methyl 4-[2-[[3-(5-bromo-2-furyl)-1,2,4-oxadiazole-5-carbonyl]amino]ethylcarbamoyl]benzoate Methyl 4-[2-[[3-(5-bromanylfuran-2-yl)-1,2,4-oxadiazol-5-yl]carbonylamino]ethylcarbamoyl]benzoate
Wiley ID 1658314