2-Methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-Nitrophenyl)azo]phenyl]-n-(2-cyanoethyl)-beta-alaninate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25ClN6O6
Molecular Weight	516.934
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-Methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-Nitrophenyl)azo]phenyl]-n-(2-cyanoethyl)-beta-alaninate

Structure Search

SMILES

COCCOC(=O)CCN(CCC#N)C1=CC=C(\N=N\C2=CC=C(C=C2Cl)[N+]([O-])=O)C(NC(C)=O)=C1

InChI

InChIKey=KKDFDCUNVXQWKF-BYYHNAKLSA-N

InChI=1S/C23H25ClN6O6/c1-16(31)26-22-15-17(29(10-3-9-25)11-8-23(32)36-13-12-35-2)4-7-21(22)28-27-20-6-5-18(30(33)34)14-19(20)24/h4-7,14-15H,3,8,10-13H2,1-2H3,(H,26,31)/b28-27+

HIDE SMILES / InChI

Molecular Formula	C23H25ClN6O6
Molecular Weight	516.934
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 `Tue Apr 01 17:41:07 GMT 2025` Edited by `admin` on `Tue Apr 01 17:41:07 GMT 2025`
Record UNII	AP46ZUQ945
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-Methoxyethyl N-[3-(acetylamino)-4-[(2-chloro-4-Nitrophenyl)azo]phenyl]-n-(2-cyanoethyl)-beta-alaninate

Systematic Name

English

?-Alanine, N-[3-(acetylamino)-4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester

Preferred Name

English

N-[3-(Acetylamino)-4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]-N-(2-cyanoethyl)-?-alanine 2-methoxyethyl ester

Common Name

English

?-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester

Common Name

English

Code System Code Type Description

PUBCHEM

171006