1-[(4-Nitrophenyl)methyl] propanedioate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H9NO6
Molecular Weight	239.1816
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(4-Nitrophenyl)methyl] propanedioate

Structure Search

SMILES

OC(=O)CC(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=RIGFMUNSTCPGNP-UHFFFAOYSA-N

InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)

HIDE SMILES / InChI

Molecular Formula	C10H9NO6
Molecular Weight	239.1816
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 `Wed Apr 02 18:44:48 GMT 2025` Edited by `admin` on `Wed Apr 02 18:44:48 GMT 2025`
Record UNII	EXU753HR7Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Mono-p-nitrobenzyl malonate

Preferred Name

English

1-[(4-Nitrophenyl)methyl] propanedioate

Systematic Name

English

Propanedioic acid, mono[(4-nitrophenyl)methyl] ester

Systematic Name

English

Propanedioic acid, 1-[(4-nitrophenyl)methyl] ester

Systematic Name

English

p-Nitrobenzyl malonate

Systematic Name

English

Code System Code Type Description

PUBCHEM

592642

Created by admin on Wed Apr 02 18:44:48 GMT 2025 , Edited by admin on Wed Apr 02 18:44:48 GMT 2025

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EPA CompTox

DTXSID80343841

Created by admin on Wed Apr 02 18:44:48 GMT 2025 , Edited by admin on Wed Apr 02 18:44:48 GMT 2025

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FDA UNII

EXU753HR7Z

Created by admin on Wed Apr 02 18:44:48 GMT 2025 , Edited by admin on Wed Apr 02 18:44:48 GMT 2025

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CAS

77359-11-6

Created by admin on Wed Apr 02 18:44:48 GMT 2025 , Edited by admin on Wed Apr 02 18:44:48 GMT 2025

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