N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-?-alanine methyl ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22N6O5
Molecular Weight	438.4366
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-?-alanine methyl ester

Structure Search

SMILES

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

InChI

InChIKey=IHGNMANWSZRSPH-OCOZRVBESA-N

InChI=1S/C21H22N6O5/c1-4-26(10-9-21(29)32-3)16-5-8-19(20(12-16)23-14(2)28)25-24-18-7-6-17(27(30)31)11-15(18)13-22/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,28)/b25-24+

HIDE SMILES / InChI

Molecular Formula	C21H22N6O5
Molecular Weight	438.4366
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 `Wed Apr 02 20:19:33 GMT 2025` Edited by `admin` on `Wed Apr 02 20:19:33 GMT 2025`
Record UNII	GTV5FTF7AD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester

Preferred Name

English

N-[3-(Acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-?-alanine methyl ester

Systematic Name

English

?-Alanine, N-[3-(acetylamino)-4-[2-(2-cyano-4-nitrophenyl)diazenyl]phenyl]-N-ethyl-, methyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

GTV5FTF7AD