Diethyl (4-amino-3-chlorophenyl)methylmalonate

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18ClNO4
Molecular Weight	299.75
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Diethyl (4-amino-3-chlorophenyl)methylmalonate

Structure Search

SMILES

CCOC(=O)C(CC1=CC=C(N)C(Cl)=C1)C(=O)OCC

InChI

InChIKey=AGTISSMCQXEKEI-UHFFFAOYSA-N

InChI=1S/C14H18ClNO4/c1-3-19-13(17)10(14(18)20-4-2)7-9-5-6-12(16)11(15)8-9/h5-6,8,10H,3-4,7,16H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Diethyl (4-amino-3-chlorophenyl)methylmalonate

Systematic Name

English

1,3-Diethyl 2-(4-amino-3-chlorophenyl)-2-methylpropanedioate

Preferred Name

English

Propanedioic acid, 2-(4-amino-3-chlorophenyl)-2-methyl-, 1,3-diethyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

BJ6WN7Q8E2

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

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CAS

25814-36-2

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

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ECHA (EC/EINECS)

247-281-8

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

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EPA CompTox

DTXSID80180470

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

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PUBCHEM

117643

Created by admin on Wed Apr 02 18:50:53 GMT 2025 , Edited by admin on Wed Apr 02 18:50:53 GMT 2025

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SUBSTANCE RECORD


					BJ6WN7Q8E2

Diethyl (4-amino-3-chlorophenyl)methylmalonate