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Details

Stereochemistry ACHIRAL
Molecular Formula C19H20N2O3
Molecular Weight 324.3744
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)-

SMILES

COc1cc(C/C(=C(\[H])/Nc2ccccc2)/C#N)cc(c1OC)OC

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

Molecular Formula C19H20N2O3
Molecular Weight 324.3744
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:51:57 UTC 2021
Edited
by admin
on Sat Jun 26 08:51:57 UTC 2021
Record UNII
5Q95C8RK37
Record Status Validated (UNII)
Record Version
  • Download
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
TRIMETHOPRIM IMPURITY I (Z) [EP]
Common Name English
3-ANILINO-2-(3,4,5,-TRIMETHOXYBENZYL)ACRYLONITRILE
Systematic 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 Jun 26 08:51:57 UTC 2021 , Edited by admin on Sat Jun 26 08:51:57 UTC 2021
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
3035337
Created by admin on Sat Jun 26 08:51:57 UTC 2021 , Edited by admin on Sat Jun 26 08:51:57 UTC 2021
PRIMARY
ECHA (EC/EINECS)
250-033-1
Created by admin on Sat Jun 26 08:51:57 UTC 2021 , Edited by admin on Sat Jun 26 08:51:57 UTC 2021
PRIMARY
FDA UNII
5Q95C8RK37
Created by admin on Sat Jun 26 08:51:57 UTC 2021 , Edited by admin on Sat Jun 26 08:51:57 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP