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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H9NO3
Molecular Weight 263.2476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITRO-4-PYRENOL

SMILES

OC1=CC2=C3C(C=CC4=C3C1=CC=C4[N+]([O-])=O)=CC=C2

InChI

InChIKey=QDCYNNFGMVNKEX-UHFFFAOYSA-N
InChI=1S/C16H9NO3/c18-14-8-10-3-1-2-9-4-5-11-13(17(19)20)7-6-12(14)16(11)15(9)10/h1-8,18H

HIDE SMILES / InChI

Approval Year

Name Type Language
1-NITRO-4-PYRENOL
Systematic Name English
1-NITROPYREN-4-OL
Preferred Name English
4-PYRENOL, 1-NITRO-
Systematic Name English
Code System Code Type Description
CAS
91254-96-5
Created by admin on Mon Mar 31 22:37:17 GMT 2025 , Edited by admin on Mon Mar 31 22:37:17 GMT 2025
PRIMARY
FDA UNII
U9E249G99U
Created by admin on Mon Mar 31 22:37:17 GMT 2025 , Edited by admin on Mon Mar 31 22:37:17 GMT 2025
PRIMARY
PUBCHEM
150329
Created by admin on Mon Mar 31 22:37:17 GMT 2025 , Edited by admin on Mon Mar 31 22:37:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID60238463
Created by admin on Mon Mar 31 22:37:17 GMT 2025 , Edited by admin on Mon Mar 31 22:37:17 GMT 2025
PRIMARY