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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H14N2O3
Molecular Weight 294.3047
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Propenoic acid, 2-methyl-, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester

SMILES

CC(=C)C(=O)OC1=CC(=CC=CC1=O)\N=N\C2=CC=CC=C2

InChI

InChIKey=WYACSSKDRFBSCJ-VHEBQXMUSA-N
InChI=1S/C17H14N2O3/c1-12(2)17(21)22-16-11-14(9-6-10-15(16)20)19-18-13-7-4-3-5-8-13/h3-11H,1H2,2H3/b19-18+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
NSC-82848
Preferred Name English
2-Propenoic acid, 2-methyl-, 7-oxo-4-(phenylazo)-1,3,5-cycloheptatrien-1-yl ester
Systematic Name English
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(phenylazo)-, methacrylate (ester)-
Common Name English
Methacrylic acid, ester with 2-hydroxy-5-(phenylazo)-2,4,6-cycloheptatrien-1-one
Systematic Name English
2-Propenoic acid, 2-methyl-, 7-oxo-4-(2-phenyldiazenyl)-1,3,5-cycloheptatrien-1-yl ester
Systematic Name English
Code System Code Type Description
FDA UNII
R932W85NEF
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
NSC
82848
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
CAS
535-02-4
Created by admin on Tue Apr 01 20:16:39 GMT 2025 , Edited by admin on Tue Apr 01 20:16:39 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966