2-Phenoxyethyl N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-beta-alaninate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23N5O5S
Molecular Weight	469.514
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-Phenoxyethyl N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-beta-alaninate

Structure Search

SMILES

CN(CCC(=O)OCCOC1=CC=CC=C1)C2=CC(C)=C(C=C2)\N=N\C3=NC=C(S3)[N+]([O-])=O

InChI

InChIKey=MGBYXZXPDPRITM-OCOZRVBESA-N

InChI=1S/C22H23N5O5S/c1-16-14-17(8-9-19(16)24-25-22-23-15-20(33-22)27(29)30)26(2)11-10-21(28)32-13-12-31-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3/b25-24+

HIDE SMILES / InChI

Molecular Formula	C22H23N5O5S
Molecular Weight	469.514
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 19:35:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:35:11 GMT 2025`
Record UNII	9WUZ3RD37F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-Alanine, N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-, 2-phenoxyethyl ester

Preferred Name

English

2-Phenoxyethyl N-methyl-N-[3-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-beta-alaninate

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

289-414-2