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5-[(3-Nitroanilino)methylene]barbituric acid
SpectraBase Compound ID 5wDwa7rA8X
InChI InChI=1S/C11H8N4O5/c16-9-8(10(17)14-11(18)13-9)5-12-6-2-1-3-7(4-6)15(19)20/h1-5,12H,(H2,13,14,16,17,18)
InChIKey GOIJOBKXZHWXDK-UHFFFAOYSA-N
Mol Weight 276.21 g/mol
Molecular Formula C11H8N4O5
Exact Mass 276.049469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aw36C1vhhKF
Name 5-[(3-Nitroanilino)methylene]barbituric acid
Alternate Name(s) 5-[(3-Nitroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione 5-[(3-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione 5-{[(3-nitrophenyl)amino]methylene}-1,3-dihydropyrimidine-2,4,6-trione
CAS Registry Number 200626-88-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4O5
InChI InChI=1S/C11H8N4O5/c16-9-8(10(17)14-11(18)13-9)5-12-6-2-1-3-7(4-6)15(19)20/h1-5,12H,(H2,13,14,16,17,18)
InChIKey GOIJOBKXZHWXDK-UHFFFAOYSA-N
Molecular Weight 276.208 g/mol
SMILES N(c1cc(ccc1)[N+]([O-])=O)C=C1C(NC(NC1=O)=O)=O
SPLASH splash10-0fb9-9420000000-0001ae0f1fc9e636d83f
Wiley ID 1467633