U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H13NO2
Molecular Weight 215.2478
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-CYANO-3-PHENYLCROTONIC ACID ETHYL ESTER

SMILES

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

InChI

InChIKey=AJDOTEWSLNGINB-BENRWUELSA-N
InChI=1S/C13H13NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3/b12-10-

HIDE SMILES / InChI

Approval Year

Name Type Language
2-CYANO-3-PHENYLCROTONIC ACID ETHYL ESTER
Systematic Name English
NSC-408236
Code English
CROTONIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER
Systematic Name English
2-BUTENOIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
9429M24CJB
Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID301298069
Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023
PRIMARY
PUBCHEM
688203
Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023
PRIMARY
NSC
408236
Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023
PRIMARY
CAS
18300-89-5
Created by admin on Sat Dec 16 12:57:20 GMT 2023 , Edited by admin on Sat Dec 16 12:57:20 GMT 2023
PRIMARY