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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11NO4
Molecular Weight 245.2307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylate

SMILES

CCOC(=O)C(=C\C1=CC=C2OCOC2=C1)\C#N

InChI

InChIKey=RYGTWDAUOUMNRA-BJMVGYQFSA-N
InChI=1S/C13H11NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-6H,2,8H2,1H3/b10-5+

HIDE SMILES / InChI

Molecular Formula C13H11NO4
Molecular Weight 245.2307
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 Tue Apr 01 19:49:43 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:43 GMT 2025
Record UNII
YNF7Y36TFM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 3-(1,3-benzodioxol-5-yl)-2-cyanoacrylate
Systematic Name English
NSC-59454
Preferred Name English
Cinnamic acid, ?-cyano-3,4-(methylenedioxy)-, ethyl ester
Common Name English
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester, (2E)-
Systematic Name English
2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-2-cyano-, ethyl ester
Common Name English
(E)-Ethyl 3-(benzo[d][1,3]dioxol-5-yl)-2-cyanoacrylate
Systematic Name English
Ethyl ?-cyano-3,4-(methylenedioxy)cinnamate
Systematic Name English
Ethyl 2-cyano-3-(3,4-methylenedioxyphenyl)-2-propenoate
Systematic Name English
Ethyl (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoate
Systematic Name English
Code System Code Type Description
CAS
2286-56-8
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID801222233
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
PRIMARY
CAS
153910-33-9
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
PRIMARY
PUBCHEM
640052
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
PRIMARY
FDA UNII
YNF7Y36TFM
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
PRIMARY
NSC
59454
Created by admin on Tue Apr 01 19:49:43 GMT 2025 , Edited by admin on Tue Apr 01 19:49:43 GMT 2025
PRIMARY