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3-{4-[4-(4-trifluoromethoxyphenyl)methylidene-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-2-(2-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one

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3-{4-[4-(4-trifluoromethoxyphenyl)methylidene-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-2-(2-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
SpectraBase Compound ID HbnUBSaODcp
InChI InChI=1S/C31H19F3N4O6/c32-31(33,34)44-21-15-9-18(10-16-21)17-25-30(40)43-28(36-25)19-11-13-20(14-12-19)37-27(23-6-2-4-8-26(23)38(41)42)35-24-7-3-1-5-22(24)29(37)39/h1-17,27,35H
InChIKey SNOYIGGKIICUCN-UHFFFAOYSA-N
Mol Weight 600.51 g/mol
Molecular Formula C31H19F3N4O6
Exact Mass 600.125669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aa5FWzAHAnn
Name 3-{4-[4-(4-trifluoromethoxyphenyl)methylidene-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-2-(2-nitrophenyl)-2,3-dihydroquinazolin-4(1H)-one
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Formula C31H19F3N4O6
InChI InChI=1S/C31H19F3N4O6/c32-31(33,34)44-21-15-9-18(10-16-21)17-25-30(40)43-28(36-25)19-11-13-20(14-12-19)37-27(23-6-2-4-8-26(23)38(41)42)35-24-7-3-1-5-22(24)29(37)39/h1-17,27,35H
InChIKey SNOYIGGKIICUCN-UHFFFAOYSA-N
Molecular Weight 600.510 g/mol
SMILES N1c2ccccc2C(N(C1c1ccccc1[N+]([O-])=O)c1ccc(cc1)C1=NC(C(O1)=O)=Cc1ccc(cc1)OC(F)(F)F)=O
SPLASH splash10-0fk9-4940000000-3788654796af899ea768
Source of Spectrum HC-51-344-5f
Synonyms 2-(4-(2-(2-nitrophenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)phenyl)-4-(4-(trifluoromethoxy)benzylidene)oxazol-5(4H)-one
Wiley ID 1806424