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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H11NO2
Molecular Weight 297.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROBENZO(A)PYRENE

SMILES

[O-][N+](=O)C1=C2C=CC3=C4C=CC=CC4=CC5=CC=C(C=C1)C2=C35

InChI

InChIKey=ICKISBPYFVBVQG-UHFFFAOYSA-N
InChI=1S/C20H11NO2/c22-21(23)18-10-7-12-5-6-14-11-13-3-1-2-4-15(13)16-8-9-17(18)19(12)20(14)16/h1-11H

HIDE SMILES / InChI

Molecular Formula C20H11NO2
Molecular Weight 297.3068
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:34:07 GMT 2025
Edited
by admin
on Mon Mar 31 19:34:07 GMT 2025
Record UNII
7LW05PHL0K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NITROBENZO(A)PYRENE
Systematic Name English
BENZO(A)PYRENE, 1-NITRO-
Preferred Name English
NITROBENZO(A)PYRENE, 1-
Systematic Name English
Code System Code Type Description
FDA UNII
7LW05PHL0K
Created by admin on Mon Mar 31 19:34:07 GMT 2025 , Edited by admin on Mon Mar 31 19:34:07 GMT 2025
PRIMARY
PUBCHEM
50958
Created by admin on Mon Mar 31 19:34:07 GMT 2025 , Edited by admin on Mon Mar 31 19:34:07 GMT 2025
PRIMARY
CAS
70021-99-7
Created by admin on Mon Mar 31 19:34:07 GMT 2025 , Edited by admin on Mon Mar 31 19:34:07 GMT 2025
PRIMARY
HSDB
8187
Created by admin on Mon Mar 31 19:34:07 GMT 2025 , Edited by admin on Mon Mar 31 19:34:07 GMT 2025
PRIMARY