Chem
J-GLOBAL ID:200907049633533325   Nikkaji number:J1.029.628E

(2S)-6-Methyl-2β-(3-nitrophenyl)-4β-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester

(2S)-6-メチル-2β-(3-ニトロフェニル)-4β-(2-ニトロフェニル)-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸エチル
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: C20H20N2[N+]2O4[O-]2
Molecular formula furigana: C20-H20-N4-O6
Molecular weight: 412.402
InChI: InChI=1S/C20H20N4O6/c1-3-30-20(25)17-12(2)21-19(13-7-6-8-14(11-13)23(26)27)22-18(17)15-9-4-5-10-16(15)24(28)29/h4-11,18-19,21-22H,3H2,1-2H3/t18-,19+/m0/s1
InChI key: KFEKRKFZHQGKQI-RBUKOAKNSA-N
SMILES: CCOC(=O)C1=C(C)N[C@H](N[C@H]1c1ccccc1[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Systematic name  (3):
  • (2S)-6-メチル-2β-(3-ニトロフェニル)-4β-(2-ニトロフェニル)-1,2,3,4-テトラヒドロピリミジン-5-カルボン酸エチル
  • エチル (2S,4S)-6-メチル-4-(2-ニトロフェニル)-2-(3-ニトロフェニル)-1,2,3,4-テトラヒドロピリミジン-5-カルボキシラート
  • ethyl (2S,4S)-6-methyl-4-(2-nitrophenyl)-2-(3-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Other name (1):
  • (2S)-6-Methyl-2β-(3-nitrophenyl)-4β-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
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