Chem
J-GLOBAL ID：201707005615387244   Nikkaji number：J3.579.434D

3-Bromo-17-nitrocorrole

3-ブロモ-17-ニトロコロール
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： C19H12BrN4[N+]O[O-]
Molecular formula furigana： C19-H12-BR-N5-O2
Molecular weight： 422.242
InChI： InChI=1S/C19H12BrN5O2/c20-14-8-16-17-9-19(25(26)27)18(24-17)7-13-4-2-11(22-13)5-10-1-3-12(21-10)6-15(14)23-16/h1-9,21-23H/b10-5-,11-5-,12-6-,13-7-,15-6-,17-16-,18-7-
InChI key： PREBACOKJSRTHM-FNXBYPMYSA-N
SMILES： [O-][N+](=O)C1=CC2=N/C/1=C\c1ccc(/C=c\3/cc/c(=C/c4[nH]c2cc4Br)/[nH]3)[nH]1
Systematic name  (3)：
  • 3-ブロモ-17-ニトロコロール
  • 4-ブロモ-18-ニトロ-20,21,22,23-テトラアザペンタシクロ[15.2.1.12,5.17,10.112,15]トリコサ-1(20),2,4,6,8,10,12,14,16,18-デカエン
  • 4-bromo-18-nitro-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2,4,6,8,10,12,14,16,18-decaene
Other name (1)：
  • 3-Bromo-17-nitrocorrole
Thsaurus map：
Thesaurus Map

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