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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11NO5
Molecular Weight 237.2087
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-Acetoxy-3-methoxy-?-nitrostyrene

SMILES

COC1=C(OC(C)=O)C=CC(\C=C\[N+]([O-])=O)=C1

InChI

InChIKey=OTVNMEHTSLGKMY-AATRIKPKSA-N
InChI=1S/C11H11NO5/c1-8(13)17-10-4-3-9(5-6-12(14)15)7-11(10)16-2/h3-7H,1-2H3/b6-5+

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-54544
Preferred Name English
4-Acetoxy-3-methoxy-?-nitrostyrene
Common Name English
Phenol, 2-methoxy-4-(2-nitroethenyl)-, 1-acetate
Systematic Name English
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] acetate
Systematic Name English
Phenol, 2-methoxy-4-[(1E)-2-nitroethenyl]-, 1-acetate
Systematic Name English
Code System Code Type Description
PUBCHEM
867201
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
PRIMARY
CAS
22568-52-1
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID001213593
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
PRIMARY
CAS
6622-95-3
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
NSC
54544
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
PRIMARY
FDA UNII
W8PE6WFW7R
Created by admin on Tue Apr 01 20:01:45 GMT 2025 , Edited by admin on Tue Apr 01 20:01:45 GMT 2025
PRIMARY