Chem
J-GLOBAL ID:200907075602120902   Nikkaji number:J1.660.802E

1-(4-Chlorophenyl)-3-[(2R,3S,4R)-2-(dimethoxymethyl)-2-methyl-3-hydroxy-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-cyanoguanidine

1-(4-クロロフェニル)-3-[(2R,3S,4R)-2-(ジメトキシメチル)-2-メチル-3-ヒドロキシ-6-ニトロ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-シアノグアニジン
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: C21H22ClN4[N+]O5[O-]
Molecular formula furigana: C21-H22-CL-N5-O6
Molecular weight: 475.890
InChI: InChI=1S/C21H22ClN5O6/c1-21(19(31-2)32-3)18(28)17(15-10-14(27(29)30)8-9-16(15)33-21)26-20(24-11-23)25-13-6-4-12(22)5-7-13/h4-10,17-19,28H,1-3H3,(H2,24,25,26)/t17-,18+,21-/m1/s1
InChI key: MQYJKKAHTAOTTM-LVCYWYKZSA-N
SMILES: COC(OC)[C@]1(C)Oc2ccc(cc2[C@@H](NC(=NC#N)Nc2ccc(Cl)cc2)[C@@H]1O)[N+](=O)[O-]
Systematic name  (3):
  • 1-(4-クロロフェニル)-3-[(2R,3S,4R)-2-(ジメトキシメチル)-2-メチル-3-ヒドロキシ-6-ニトロ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]-2-シアノグアニジン
  • N-(4-クロロフェニル)-N''-シアノ-N'-[(2R,3S,4R)-2-(ジメトキシメチル)-3-ヒドロキシ-2-メチル-6-ニトロ-3,4-ジヒドロ-2H-1-ベンゾピラン-4-イル]グアニジン
  • N-(4-chlorophenyl)-N''-cyano-N'-[(2R,3S,4R)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine
Other name (1):
  • 1-(4-Chlorophenyl)-3-[(2R,3S,4R)-2-(dimethoxymethyl)-2-methyl-3-hydroxy-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-cyanoguanidine
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