4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16N2O6
Molecular Weight	296.2759
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Structure Search

SMILES

COCCOC1=CC(C#N)=C(C=C1OCCOC)[N+]([O-])=O

InChI

InChIKey=JNNCLIICKUIURH-UHFFFAOYSA-N

InChI=1S/C13H16N2O6/c1-18-3-5-20-12-7-10(9-14)11(15(16)17)8-13(12)21-6-4-19-2/h7-8H,3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C13H16N2O6
Molecular Weight	296.2759
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 17:19:02 GMT 2025` Edited by `admin` on `Wed Apr 02 17:19:02 GMT 2025`
Record UNII	QC2GR33BE6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Nitro-4,5-(2-methoxyethoxy)benzonitrile

Preferred Name

English

4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Systematic Name

English

Benzonitrile, 4,5-bis(2-methoxyethoxy)-2-nitro-

Systematic Name

English

3,4-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Systematic Name

English

4,5-Di(2-methoxyethoxy)-2-nitrobenzonitrile

Systematic Name

English

Code System Code Type Description

FDA UNII

QC2GR33BE6

Created by admin on Wed Apr 02 17:19:02 GMT 2025 , Edited by admin on Wed Apr 02 17:19:02 GMT 2025

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PUBCHEM

16063393

Created by admin on Wed Apr 02 17:19:02 GMT 2025 , Edited by admin on Wed Apr 02 17:19:02 GMT 2025

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EPA CompTox

DTXSID40581646

Created by admin on Wed Apr 02 17:19:02 GMT 2025 , Edited by admin on Wed Apr 02 17:19:02 GMT 2025

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CAS

236750-65-5

Created by admin on Wed Apr 02 17:19:02 GMT 2025 , Edited by admin on Wed Apr 02 17:19:02 GMT 2025

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