Chem
J-GLOBAL ID：201407058745548367   Nikkaji number：J3.250.252K

9-Nitro-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene

9-ニトロ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
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： C13H10N[N+]O2[O-]
Molecular formula furigana： C13-H10-N2-O3
Molecular weight： 242.234
InChI： InChI=1S/C13H10N2O3/c16-15(17)10-7-13-11(14-8-10)6-5-9-3-1-2-4-12(9)18-13/h1-4,7-8H,5-6H2
InChI key： PQJACBMZCWBIKF-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cnc2CCc3ccccc3Oc2c1
Systematic name  (3)：
  • 9-ニトロ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
  • 5-ニトロ-2-オキサ-7-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン
  • 5-nitro-2-oxa-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Other name (1)：
  • 9-Nitro-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene
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