2,2'-((BENZOYLIMINO)BIS(2,1-ETHANEDIYL(5-CYANO-2-HYDROXY-4-METHYL-6-OXO-1,3(6H)-PYRIDINEDIYL)AZO))BISBENZOIC ACID, DIETHYL ESTER

Details

Stereochemistry	ACHIRAL
Molecular Formula	C43H39N9O9
Molecular Weight	825.8247
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 2,2'-((BENZOYLIMINO)BIS(2,1-ETHANEDIYL(5-CYANO-2-HYDROXY-4-METHYL-6-OXO-1,3(6H)-PYRIDINEDIYL)AZO))BISBENZOIC ACID, DIETHYL ESTER

Structure Search

SMILES

CCOC(=O)C1=CC=CC=C1\N=N\C2=C(O)N(CCN(CCN3C(=O)C(C#N)=C(C)C(\N=N\C4=CC=CC=C4C(=O)OCC)=C3O)C(=O)C5=CC=CC=C5)C(=O)C(C#N)=C2C

InChI

InChIKey=MLMYJEMHNRLNFP-ROHDNENLSA-N

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/h7-19,56-57H,5-6,20-23H2,1-4H3/b48-46+,49-47+

HIDE SMILES / InChI

Molecular Formula	C43H39N9O9
Molecular Weight	825.8247
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:51:43 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:43 GMT 2025`
Record UNII	A04934O72R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2'-((BENZOYLIMINO)BIS(2,1-ETHANEDIYL(5-CYANO-2-HYDROXY-4-METHYL-6-OXO-1,3(6H)-PYRIDINEDIYL)AZO))BISBENZOIC ACID, DIETHYL ESTER

Common Name

English

BENZOIC ACID, 2,2'-((BENZOYLIMINO)BIS(2,1-ETHANEDIYL(5-CYANO-2-HYDROXY-4-METHYL-6-OXO-1,3(6H)-PYRIDINEDIYL)-2,1-DIAZENEDIYL))BIS-, 1,1'-DIETHYL ESTER

Preferred Name

English

BENZOIC ACID, 2,2'-((BENZOYLIMINO)BIS(2,1-ETHANEDIYL(5-CYANO-2-HYDROXY-4-METHYL-6-OXO-1,3(6H)-PYRIDINEDIYL)AZO))BIS-, DIETHYL ESTER

Common Name

English

Classification Tree Code System Code

Food Contact Sustance Notif, (FCN No.)

FCN NO. 638