Chem
J-GLOBAL ID:200907051428963052   Nikkaji number:J384.795K

(4S,5R)-4-(4-Bromophenyl)-3-cyano-6-oxo-5-pyridinio-(1,4,5,6-tetrahydropyridine)-2-olate

(4S,5R)-4-(4-ブロモフェニル)-3-シアノ-6-オキソ-5-ピリジニオ-(1,4,5,6-テトラヒドロピリジン)-2-オラート
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: C17H12BrN2[N+]O[O-]
Molecular formula furigana: C17-H12-BR-N3-O2
Molecular weight: 370.206
InChI: InChI=1S/C17H12BrN3O2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)/t14-,15+/m0/s1
InChI key: DYIZRXGBPWTQRF-LSDHHAIUSA-N
SMILES: [O-]C1=C(C#N)[C@@H]([C@H](C(=O)N1)[n+]1ccccc1)c1ccc(Br)cc1
Systematic name  (3):
  • (4S,5R)-4-(4-ブロモフェニル)-3-シアノ-6-オキソ-5-ピリジニオ-(1,4,5,6-テトラヒドロピリジン)-2-オラート
  • (3'R,4'S)-4'-(4-ブロモフェニル)-5'-シアノ-2'-オキソ-1',2',3',4'-テトラヒドロ-1λ5-[1,3'-ビピリジン]-1-イリウム-6'-オラート
  • (3'R,4'S)-4'-(4-bromophenyl)-5'-cyano-2'-oxo-1',2',3',4'-tetrahydro-1λ5-[1,3'-bipyridin]-1-ylium-6'-olate
Other name (1):
  • (4S,5R)-4-(4-Bromophenyl)-3-cyano-6-oxo-5-pyridinio-(1,4,5,6-tetrahydropyridine)-2-olate
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