Chem
J-GLOBAL ID:200907050360912733   Nikkaji number:J1.541.467G

2,6-Dimethyl-4-(2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-[4-(nitrooxy)butyl]5-isopropyl ester

2,6-ジメチル-4-(2-ピリジル)-1,4-ジヒドロ-3,5-ピリジンジカルボン酸3-[4-(ニトロオキシ)ブチル]5-イソプロピル
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: C21H27N2[N+]O6[O-]
Molecular formula furigana: C21-H27-N3-O7
Molecular weight: 433.461
InChI: InChI=1S/C21H27N3O7/c1-13(2)31-21(26)18-15(4)23-14(3)17(19(18)16-9-5-6-10-22-16)20(25)29-11-7-8-12-30-24(27)28/h5-6,9-10,13,19,23H,7-8,11-12H2,1-4H3
InChI key: BHDUVVDEHKRSJF-UHFFFAOYSA-N
SMILES: CC(C)OC(=O)C1=C(C)NC(=C(C1c1ccccn1)C(=O)OCCCCO[N+](=O)[O-])C
Systematic name  (3):
  • 2,6-ジメチル-4-(2-ピリジル)-1,4-ジヒドロ-3,5-ピリジンジカルボン酸3-[4-(ニトロオキシ)ブチル]5-イソプロピル
  • 3'-[4-(ニトロオキシ)ブチル] 5'-プロパン-2-イル 2',6'-ジメチル-1',4'-ジヒドロ-[2,4'-ビピリジン]-3',5'-ジカルボキシラート
  • 3'-[4-(nitrooxy)butyl] 5'-propan-2-yl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate
Other name (1):
  • 2,6-Dimethyl-4-(2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylic acid 3-[4-(nitrooxy)butyl]5-isopropyl ester
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