3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE, (Z)-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H20N2O3
Molecular Weight	324.3737
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE, (Z)-

Structure Search

SMILES

COC1=CC(C\C(=C\NC2=CC=CC=C2)C#N)=CC(OC)=C1OC

InChI

InChIKey=LMGNGGBSQVPQCO-SQFISAMPSA-N

InChI=1S/C19H20N2O3/c1-22-17-10-14(11-18(23-2)19(17)24-3)9-15(12-20)13-21-16-7-5-4-6-8-16/h4-8,10-11,13,21H,9H2,1-3H3/b15-13-

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE, (Z)-

Common Name

English

3-(PHENYLAMINO)-2-(3,4,5-TRIMETHOXYBENZYL)PROP-2-ENENITRILE

Systematic Name

English

3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE

Systematic Name

English

TRIMETHOPRIM IMPURITY I (Z) [EP IMPURITY]

Common Name

English

BENZENEPROPANENITRILE, 3,4,5-TRIMETHOXY-.ALPHA.-((PHENYLAMINO)METHYLENE)-

Systematic Name

English

Code System Code Type Description

CAS

30078-48-9

Created by admin on Sat Dec 16 15:04:23 GMT 2023 , Edited by admin on Sat Dec 16 15:04:23 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

3035337

Created by admin on Sat Dec 16 15:04:23 GMT 2023 , Edited by admin on Sat Dec 16 15:04:23 GMT 2023

PRIMARY

ECHA (EC/EINECS)

250-033-1

Created by admin on Sat Dec 16 15:04:23 GMT 2023 , Edited by admin on Sat Dec 16 15:04:23 GMT 2023

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EPA CompTox

DTXSID301170419

Created by admin on Sat Dec 16 15:04:23 GMT 2023 , Edited by admin on Sat Dec 16 15:04:23 GMT 2023

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FDA UNII

5Q95C8RK37

Created by admin on Sat Dec 16 15:04:23 GMT 2023 , Edited by admin on Sat Dec 16 15:04:23 GMT 2023

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SUBSTANCE RECORD


					5Q95C8RK37

3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE, (Z)-