DIETHYL (3-CHLORO-4-NITROPHENYL)METHYLMALONATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H16ClNO6
Molecular Weight	329.733
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIETHYL (3-CHLORO-4-NITROPHENYL)METHYLMALONATE

Structure Search

SMILES

CCOC(=O)C(C)(C(=O)OCC)C1=CC(Cl)=C(C=C1)[N+]([O-])=O

InChI

InChIKey=UCPDPMHNVNYSTI-UHFFFAOYSA-N

InChI=1S/C14H16ClNO6/c1-4-21-12(17)14(3,13(18)22-5-2)9-6-7-11(16(19)20)10(15)8-9/h6-8H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C14H16ClNO6
Molecular Weight	329.733
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 `Tue Apr 01 17:47:56 GMT 2025` Edited by `admin` on `Tue Apr 01 17:47:56 GMT 2025`
Record UNII	W6CT2W97DY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-DIETHYL 2-(3-CHLORO-4-NITROPHENYL)-2-METHYLPROPANEDIOATE

Preferred Name

English

DIETHYL (3-CHLORO-4-NITROPHENYL)METHYLMALONATE

Systematic Name

English

PROPANEDIOIC ACID, 2-(3-CHLORO-4-NITROPHENYL)-2-METHYL-, 1,3-DIETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

26039-74-7

Created by admin on Tue Apr 01 17:47:56 GMT 2025 , Edited by admin on Tue Apr 01 17:47:56 GMT 2025

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PUBCHEM

12854241

Created by admin on Tue Apr 01 17:47:56 GMT 2025 , Edited by admin on Tue Apr 01 17:47:56 GMT 2025

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FDA UNII

W6CT2W97DY

Created by admin on Tue Apr 01 17:47:56 GMT 2025 , Edited by admin on Tue Apr 01 17:47:56 GMT 2025

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EPA CompTox

DTXSID70180686

Created by admin on Tue Apr 01 17:47:56 GMT 2025 , Edited by admin on Tue Apr 01 17:47:56 GMT 2025

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ECHA (EC/EINECS)

247-424-4

Created by admin on Tue Apr 01 17:47:56 GMT 2025 , Edited by admin on Tue Apr 01 17:47:56 GMT 2025

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