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(5E)-1-(4-chlorophenyl)-5-(2-methoxy-5-nitro-benzylidene)barbituric acid
SpectraBase Compound ID 4ymBfaeBtyo
InChI InChI=1S/C18H12ClN3O6/c1-28-15-7-6-13(22(26)27)8-10(15)9-14-16(23)20-18(25)21(17(14)24)12-4-2-11(19)3-5-12/h2-9H,1H3,(H,20,23,25)/b14-9+
InChIKey MERKRMMOERSHLO-NTEUORMPSA-N
Mol Weight 401.76 g/mol
Molecular Formula C18H12ClN3O6
Exact Mass 401.041463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7V8U3P9InU
Name (5E)-1-(4-chlorophenyl)-5-(2-methoxy-5-nitro-benzylidene)barbituric acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12ClN3O6
InChI InChI=1S/C18H12ClN3O6/c1-28-15-7-6-13(22(26)27)8-10(15)9-14-16(23)20-18(25)21(17(14)24)12-4-2-11(19)3-5-12/h2-9H,1H3,(H,20,23,25)/b14-9+
InChIKey MERKRMMOERSHLO-NTEUORMPSA-N
Molecular Weight 401.762 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)Cl)=O)=C\c1cc(N(=O)=O)ccc1OC)=O
SPLASH splash10-0fi0-7902000000-9d5cfea5d96e41c6e436
Synonyms (5E)-1-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione
Wiley ID 1458775