Chem
J-GLOBAL ID：201707003878237740   Nikkaji number：J3.579.436K

3-Nitro-5-hydroxy-5,10,15-tris(4-methylphenyl)-5-hydro-22-dehydrocorrole

3-ニトロ-5-ヒドロキシ-5,10,15-トリス(4-メチルフェニル)-5-ヒドロ-22-デヒドロコロール
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： C40H31N4[N+]O2[O-]
Molecular formula furigana： C40-H31-N5-O3
Molecular weight： 629.720
InChI： InChI=1S/C40H31N5O3/c1-23-4-10-26(11-5-23)37-30-17-16-29(41-30)34-22-35(45(47)48)39(44-34)40(46,28-14-8-25(3)9-15-28)36-21-20-33(43-36)38(32-19-18-31(37)42-32)27-12-6-24(2)7-13-27/h4-22,42,44,46H,1-3H3/b37-30-,38-33-
InChI key： PVFGVFUDTNVTMT-DTORBCHPSA-N
SMILES： Cc1ccc(cc1)/C/1=C/2\C=CC(=N2)c2cc(c([nH]2)C(O)(C2=N/C(=C(\c3ccc1[nH]3)/c1ccc(C)cc1)/C=C2)c1ccc(C)cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-5-ヒドロキシ-5,10,15-トリス(4-メチルフェニル)-5-ヒドロ-22-デヒドロコロール
  • (10Z,16Z)-6,11,16-トリス(4-メチルフェニル)-4-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),2,4,7(22),8,10,12,14,16,18-デカエン-6-オール
  • (10Z,16Z)-6,11,16-tris(4-methylphenyl)-4-nitro-20,21,22,23-tetraazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2,4,7(22),8,10,12,14,16,18-decaen-6-ol
Other name (1)：
  • 3-Nitro-5-hydroxy-5,10,15-tris(4-methylphenyl)-5-hydro-22-dehydrocorrole
Thsaurus map：
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