2,2'-[(苯甲酰亚氨基)双[2,1-亚乙基(5-氰基-2-羟基-4-甲基-6-氧-1,3(6H)-吡啶二基)偶氮]]双苯甲酸二乙酯(9CI)
2,2'-((Benzoylimino)bis(2,1-ethanediyl(5-cyano-2-hydroxy-4-methyl-6-oxo-1,3(6H)-pyridinediyl)azo))bisbenzoic acid, diethyl ester · CAS 459856-74-7
- 中文名
- 2,2'-[(苯甲酰亚氨基)双[2,1-亚乙基(5-氰基-2-羟基-4-甲基-6-氧-1,3(6H)-吡啶二基)偶氮]]双苯甲酸二乙酯(9CI)
- 中文别名
- 暂无
- 英文名
- 2,2'-((Benzoylimino)bis(2,1-ethanediyl(5-cyano-2-hydroxy-4-methyl-6-oxo-1,3(6H)-pyridinediyl)azo))bisbenzoic acid, diethyl ester
- CAS
- 459856-74-7
- CID
- 135509887
- IUPAC 名称
- ethyl 2-[[1-[2-[benzoyl-[2-[3-cyano-5-[(2-ethoxycarbonylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]amino]ethyl]-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoate
名称与编号
- 中文名
- 2,2'-[(苯甲酰亚氨基)双[2,1-亚乙基(5-氰基-2-羟基-4-甲基-6-氧-1,3(6H)-吡啶二基)偶氮]]双苯甲酸二乙酯(9CI)
- 中文别名
- 暂无
- 英文名
- 2,2'-((Benzoylimino)bis(2,1-ethanediyl(5-cyano-2-hydroxy-4-methyl-6-oxo-1,3(6H)-pyridinediyl)azo))bisbenzoic acid, diethyl ester
- CAS
- 459856-74-7
- CID
- 135509887
- IUPAC 名称
- ethyl 2-[[1-[2-[benzoyl-[2-[3-cyano-5-[(2-ethoxycarbonylphenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl]amino]ethyl]-5-cyano-6-hydroxy-4-methyl-2-oxo-3-pyridinyl]diazenyl]benzoate
分子属性
- 分子式
- C43H39N9O9
- 分子量
- 825.8 g/mol
- 精确质量
- 825.28707386 Da
- 单同位素质量
- 825.28707386 Da
- XLogP
- 5.6
- 极性表面积
- 251 Ų
- 氢键供体
- 2
- 氢键受体
- 15
- 可旋转键
- 17
- 重原子数
- 61
- 净电荷
- 0
- 结构复杂度
- 1900
结构标识
- InChIKey
- IRINQDULKPPFCW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1=CC=CC=C1N=NC2=C(C(=C(N(C2=O)CCN(CCN3C(=C(C(=C(C3=O)N=NC4=CC=CC=C4C(=O)OCC)C)C#N)O)C(=O)C5=CC=CC=C5)O)C#N)C
- InChI
- InChI=1S/C43H39N9O9/c1-5-60-42(58)29-16-10-12-18-33(29)46-48-35-26(3)31(24-44)38(54)51(40(35)56)22-20-50(37(53)28-14-8-7-9-15-28)21-23-52-39(55)32(25-45)27(4)36(41(52)57)49-47-34-19-13-11-17-30(34)43(59)61-6-2/h7-19,54-55H,5-6,20-23H2,1-4H3