Chem
J-GLOBAL ID:200907016682992402   Nikkaji number:J2.242.922A

(3S)-1-Oxo-3α-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran-4β-carboxylic acid methyl ester

(3S)-1-オキソ-3α-(4-ニトロフェニル)-3,4-ジヒドロ-1H-2-ベンゾピラン-4β-カルボン酸メチル
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: C17H13[N+]O5[O-]
Molecular formula furigana: C17-H13-N-O6
Molecular weight: 327.292
InChI: InChI=1S/C17H13NO6/c1-23-17(20)14-12-4-2-3-5-13(12)16(19)24-15(14)10-6-8-11(9-7-10)18(21)22/h2-9,14-15H,1H3/t14-,15+/m0/s1
InChI key: IXRPNURJFPJEIP-LSDHHAIUSA-N
SMILES: COC(=O)[C@@H]1[C@H](OC(=O)c2ccccc12)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • (3S)-1-オキソ-3α-(4-ニトロフェニル)-3,4-ジヒドロ-1H-2-ベンゾピラン-4β-カルボン酸メチル
  • メチル (3S,4S)-3-(4-ニトロフェニル)-1-オキソ-3,4-ジヒドロ-1H-2-ベンゾピラン-4-カルボキシラート
  • methyl (3S,4S)-3-(4-nitrophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-4-carboxylate
Other name (1):
  • (3S)-1-Oxo-3α-(4-nitrophenyl)-3,4-dihydro-1H-2-benzopyran-4β-carboxylic acid methyl ester
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