Chem
J-GLOBAL ID:200907027860046550
Nikkaji number:J472.608A
6-Methyl-2-phenyl-4-[6-chloro-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester
6-メチル-2-フェニル-4-[6-クロロ-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
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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:
C20 H16 ClN2 [N+]O3 [O-]
Molecular formula furigana:
C20-H16-CL-N3-O4
Molecular weight:
397.820
InChI:
InChI=1S/C20H16ClN3O4/c1-3-28-20(25)17-12(2)22-19(13-7-5-4-6-8-13)23-18(17)15-11-14(24(26)27)9-10-16(15)21/h4-11H,3H2,1-2H3
InChI key:
VKVFQCSTHQVULQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nc(nc1c1cc(ccc1Cl)[N+](=O)[O-])c1ccccc1
Systematic name (3):
6-メチル-2-フェニル-4-[6-クロロ-3-ニトロフェニル]ピリミジン-5-カルボン酸エチル
エチル 4-(2-クロロ-5-ニトロフェニル)-6-メチル-2-フェニルピリミジン-5-カルボキシラート
ethyl 4-(2-chloro-5-nitrophenyl)-6-methyl-2-phenylpyrimidine-5-carboxylate
Other name (1):
6-Methyl-2-phenyl-4-[6-chloro-3-nitrophenyl]pyrimidine-5-carboxylic acid ethyl ester
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