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(Cl)=C(N)C=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

Molecular Formula	C14H18ClNO4
Molecular Weight	299.75
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:18:26 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:26 GMT 2023`
Record UNII	BJ6WN7Q8E2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diethyl (4-amino-3-chlorophenyl)methylmalonate

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

BJ6WN7Q8E2

Created by admin on Sat Dec 16 20:18:26 GMT 2023 , Edited by admin on Sat Dec 16 20:18:26 GMT 2023

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CAS

25814-36-2

Created by admin on Sat Dec 16 20:18:26 GMT 2023 , Edited by admin on Sat Dec 16 20:18:26 GMT 2023

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ECHA (EC/EINECS)

247-281-8

Created by admin on Sat Dec 16 20:18:26 GMT 2023 , Edited by admin on Sat Dec 16 20:18:26 GMT 2023

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EPA CompTox

DTXSID80180470

Created by admin on Sat Dec 16 20:18:26 GMT 2023 , Edited by admin on Sat Dec 16 20:18:26 GMT 2023

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PUBCHEM

117643

Created by admin on Sat Dec 16 20:18:26 GMT 2023 , Edited by admin on Sat Dec 16 20:18:26 GMT 2023

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