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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H11NO
Molecular Weight 281.3074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-NITROSOBENZO(A)PYRENE

SMILES

O=NC1=C2C=CC3=CC=CC4=CC=C(C5=CC=CC=C15)C2=C34

InChI

InChIKey=ICRDTHCKNWXAFG-UHFFFAOYSA-N
InChI=1S/C20H11NO/c22-21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZO(A)PYRENE, 6-NITROSO-
Preferred Name English
6-NITROSOBENZO(A)PYRENE
Systematic Name English
Code System Code Type Description
CAS
118745-15-6
Created by admin on Mon Mar 31 22:26:05 GMT 2025 , Edited by admin on Mon Mar 31 22:26:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID70152227
Created by admin on Mon Mar 31 22:26:05 GMT 2025 , Edited by admin on Mon Mar 31 22:26:05 GMT 2025
PRIMARY
FDA UNII
1HJS99HR9S
Created by admin on Mon Mar 31 22:26:05 GMT 2025 , Edited by admin on Mon Mar 31 22:26:05 GMT 2025
PRIMARY
PUBCHEM
119358
Created by admin on Mon Mar 31 22:26:05 GMT 2025 , Edited by admin on Mon Mar 31 22:26:05 GMT 2025
PRIMARY