3,4,5-TRIMETHOXYPHENYLACETONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4,5-TRIMETHOXYPHENYLACETONITRILE

Structure Search

SMILES

COC1=CC(CC#N)=CC(OC)=C1OC

InChI

InChIKey=ACFJNTXCEQCDBX-UHFFFAOYSA-N

InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C11H13NO3
Molecular Weight	207.2258
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
(Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].	2007 Dec	18057629

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:31:37 GMT 2023` Edited by `admin` on `Sat Dec 16 12:31:37 GMT 2023`
Record UNII	N1GY2UD3JX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4,5-TRIMETHOXYPHENYLACETONITRILE

Systematic Name

English

2-(3,4,5-TRIMETHOXYPHENYL)ACETONITRILE

Systematic Name

English

3,4,5-TRIMETHOXYBENZYL CYANIDE

Systematic Name

English

ACETONITRILE, (3,4,5-TRIMETHOXYPHENYL)-

Systematic Name

English

BENZENEACETONITRILE, 3,4,5-TRIMETHOXY-

Systematic Name

English

3,4,5-TRIMETHOXYBENZYLNITRILE

Systematic Name

English

3,4,5-TRIMETHOXYBENZENEACETONITRILE

Systematic Name

English

(3,4,5-TRIMETHOXYPHENYL)ACETONITRILE

Systematic Name

English

NSC-97556

Code

English

Code System Code Type Description

EPA CompTox

DTXSID4057637