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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N3O4
Molecular Weight 273.2441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIESHUAN

SMILES

[O-][N+](=O)C1=CC=C(NC(=O)OCC2=CN=CC=C2)C=C1

InChI

InChIKey=NEJBEZATSQIMQM-UHFFFAOYSA-N
InChI=1S/C13H11N3O4/c17-13(20-9-10-2-1-7-14-8-10)15-11-3-5-12(6-4-11)16(18)19/h1-8H,9H2,(H,15,17)

HIDE SMILES / InChI

Approval Year

Name Type Language
MIESHUAN
Common Name English
3-PYRIDYLMETHYL 4-NITROCARBANILATE
Common Name English
3-PYRIDINYLMETHYL N-(4-NITROPHENYL)CARBAMATE
Systematic Name English
Code System Code Type Description
ALANWOOD
mieshuan
Created by admin on Fri Dec 15 18:32:39 GMT 2023 , Edited by admin on Fri Dec 15 18:32:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID8058114
Created by admin on Fri Dec 15 18:32:39 GMT 2023 , Edited by admin on Fri Dec 15 18:32:39 GMT 2023
PRIMARY
FDA UNII
T4H0N048IV
Created by admin on Fri Dec 15 18:32:39 GMT 2023 , Edited by admin on Fri Dec 15 18:32:39 GMT 2023
PRIMARY
PUBCHEM
40068
Created by admin on Fri Dec 15 18:32:39 GMT 2023 , Edited by admin on Fri Dec 15 18:32:39 GMT 2023
PRIMARY
CAS
51594-83-3
Created by admin on Fri Dec 15 18:32:39 GMT 2023 , Edited by admin on Fri Dec 15 18:32:39 GMT 2023
PRIMARY