2-[(2-Cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25N7O4
Molecular Weight	463.4891
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[(2-Cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Structure Search

SMILES

CCCCNC(=O)OCCN(CCC#N)C1=CC=C(C=C1)\N=N\C2=C(C=C(C=C2)[N+]([O-])=O)C#N

InChI

InChIKey=IYJLCWHPPXDSPO-BYYHNAKLSA-N

InChI=1S/C23H25N7O4/c1-2-3-12-26-23(31)34-15-14-29(13-4-11-24)20-7-5-19(6-8-20)27-28-22-10-9-21(30(32)33)16-18(22)17-25/h5-10,16H,2-4,12-15H2,1H3,(H,26,31)/b28-27+

HIDE SMILES / InChI

Molecular Formula	C23H25N7O4
Molecular Weight	463.4891
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:09:12 GMT 2023` Edited by `admin` on `Sat Dec 16 20:09:12 GMT 2023`
Record UNII	9DBZ22K7NE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[(2-Cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl N-butylcarbamate

Systematic Name

English

Carbamic acid, butyl-, ester with 2-[[p-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile

Systematic Name

English

Carbamic acid, N-butyl-, 2-[(2-cyanoethyl)[4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]amino]ethyl ester

Systematic Name

English

2-[n-(2-cyanoethyl)-4-(2-cyano-4-nitrophenyl)diazenylanilino]ethyln-butylcarbamate

Systematic Name

English

Code System Code Type Description

FDA UNII

9DBZ22K7NE