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Chem
J-GLOBAL ID：201707000452665347
Nikkaji number：J3.539.725F 1,1-Bis[(1H-benzoimidazole-2-yl)methyl]-3-(4-nitrophenyl)urea
1,1-ビス[(1H-ベンゾイミダゾール-2-イル)メチル]-3-(4-ニトロフェニル)尿素
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
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
Molecular formula： C23H19N6[N+]O2[O-]
Molecular formula furigana： C23-H19-N7-O3
Molecular weight： 441.451
InChI：
InChI=1S/C23H19N7O3/c31-23(24-15-9-11-16(12-10-15)30(32)33)29(13-21-25-17-5-1-2-6-18(17)26-21)14-22-27-19-7-3-4-8-20(19)28-22/h1-12H,13-14H2,(H,24,31)(H,25,26)(H,27,28)
InChI key：
PNDVUTZFVHFRMX-UHFFFAOYSA-N
SMILES：
[O-][N+](=O)c1ccc(NC(=O)N(Cc2nc3ccccc3[nH]2)Cc2nc3ccccc3[nH]2)cc1
Systematic name (3)： - 1,1-ビス[(1H-ベンゾイミダゾール-2-イル)メチル]-3-(4-ニトロフェニル)尿素
- 3,3-ビス[(1H-1,3-ベンゾジアゾール-2-イル)メチル]-1-(4-ニトロフェニル)尿素
- 3,3-bis[(1H-1,3-benzodiazol-2-yl)methyl]-1-(4-nitrophenyl)urea
- 1,1-Bis[(1H-benzoimidazole-2-yl)methyl]-3-(4-nitrophenyl)urea
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