Chem
J-GLOBAL ID:200907027293742494
Nikkaji number:J2.059.354G
1-(2-Nitro-4-carboxybenzyl)-5-fluorouracil
1-(2-ニトロ-4-カルボキシベンジル)-5-フルオロウラシル
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C12 H8 FN2 [N+]O5 [O-]
Molecular formula furigana:
C12-H8-F-N3-O6
Molecular weight:
309.209
InChI:
InChI=1S/C12H8FN3O6/c13-8-5-15(12(20)14-10(8)17)4-7-2-1-6(11(18)19)3-9(7)16(21)22/h1-3,5H,4H2,(H,18,19)(H,14,17,20)
InChI key:
RMJWIZPFGUUATL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(Cn2cc(F)c(=O)[nH]c2=O)c(c1)[N+](=O)[O-]
Systematic name (4):
3-ニトロ-4-[[2,4-ジオキソ-5-フルオロ-3,4-ジヒドロピリミジン-1(2H)-イル]メチル]安息香酸
1-(2-ニトロ-4-カルボキシベンジル)-5-フルオロウラシル
4-[(5-フルオロ-2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)メチル]-3-ニトロ安息香酸
4-[(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-3-nitrobenzoic acid
Other name (2):
3-Nitro-4-[[2,4-dioxo-5-fluoro-3,4-dihydropyrimidine-1(2H)-yl]methyl]benzoic acid
1-(2-Nitro-4-carboxybenzyl)-5-fluorouracil
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