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Details

Stereochemistry ACHIRAL
Molecular Formula C17H13NO2
Molecular Weight 263.2906
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,3-BENZODIOXOL-5-YL)-2-(4-METHYLPHENYL)ACRYLONITRILE

SMILES

CC1=CC=C(C=C1)C(=C\C2=CC=C3OCOC3=C2)\C#N

InChI

InChIKey=RNXQHCQDESYTIQ-OVCLIPMQSA-N
InChI=1S/C17H13NO2/c1-12-2-5-14(6-3-12)15(10-18)8-13-4-7-16-17(9-13)20-11-19-16/h2-9H,11H2,1H3/b15-8+

HIDE SMILES / InChI

Molecular Formula C17H13NO2
Molecular Weight 263.2906
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 Dec 16 13:07:11 GMT 2023
Edited
by admin
on Sat Dec 16 13:07:11 GMT 2023
Record UNII
VMS9RC7A8A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,3-BENZODIOXOL-5-YL)-2-(4-METHYLPHENYL)ACRYLONITRILE
Systematic Name English
(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
Systematic Name English
Acrylonitrile, 3-(3,4-methylenedioxyphenyl)-2-p-tolyl-
Systematic Name English
3,4-Methylenedioxy-α-(para-tolyl)-cinnamonitrile
Systematic Name English
α-(1,3-Benzodioxol-5-ylmethylene)-4-methylbenzeneacetonitrile
Systematic Name English
(αZ)-α-(1,3-Benzodioxol-5-ylmethylene)-4-methylbenzeneacetonitrile
Systematic Name English
Benzeneacetonitrile, α-(1,3-benzodioxol-5-ylmethylene)-4-methyl-, (αZ)-
Systematic Name English
3-Benzo[1,3]dioxol-5-yl-2-p-tolyl-acrylonitrile
Systematic Name English
NSC-201677
Code English
Code System Code Type Description
FDA UNII
VMS9RC7A8A
Created by admin on Sat Dec 16 13:07:11 GMT 2023 , Edited by admin on Sat Dec 16 13:07:11 GMT 2023
PRIMARY
CAS
1081811-68-8
Created by admin on Sat Dec 16 13:07:11 GMT 2023 , Edited by admin on Sat Dec 16 13:07:11 GMT 2023
PRIMARY
CAS
84455-47-0
Created by admin on Sat Dec 16 13:07:11 GMT 2023 , Edited by admin on Sat Dec 16 13:07:11 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
201677
Created by admin on Sat Dec 16 13:07:11 GMT 2023 , Edited by admin on Sat Dec 16 13:07:11 GMT 2023
PRIMARY
PUBCHEM
678554
Created by admin on Sat Dec 16 13:07:11 GMT 2023 , Edited by admin on Sat Dec 16 13:07:11 GMT 2023
PRIMARY