Chem
J-GLOBAL ID:201707015400847380
Nikkaji number:J3.579.435B
2-Bromo-17-nitrocorrole
2-ブロモ-17-ニトロコロール
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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:
C19 H12 BrN4 [N+]O[O-]
Molecular formula furigana:
C19-H12-BR-N5-O2
Molecular weight:
422.242
InChI:
InChI=1S/C19H12BrN5O2/c20-15-7-14-6-12-2-1-10(21-12)5-11-3-4-13(22-11)8-16-18(25(26)27)9-17(24-16)19(15)23-14/h1-9,21-23H/b10-5-,11-5-,12-6-,13-8-,14-6-,16-8-,19-17-
InChI key:
QQZDRZDFCMNNDE-JFQBIVKWSA-N
SMILES:
[O-][N+](=O)C1=CC2=N/C/1=C\c1ccc(/C=c\3/cc/c(=C/c4cc(Br)c2[nH]4)/[nH]3)[nH]1
Systematic name (3):
2-ブロモ-17-ニトロコロール
3-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
3-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):
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