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Details

Stereochemistry ACHIRAL
Molecular Formula C20H11NO3
Molecular Weight 313.3062
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-NITRO-BENZO(E)PYREN-1-OL

SMILES

OC1=C2C3=CC=CC=C3C4=C(C=CC5=CC=C(C=C1)C2=C45)[N+]([O-])=O

InChI

InChIKey=JWOJCMLFEHGEJS-UHFFFAOYSA-N
InChI=1S/C20H11NO3/c22-16-10-8-12-6-5-11-7-9-15(21(23)24)19-13-3-1-2-4-14(13)20(16)18(12)17(11)19/h1-10,22H

HIDE SMILES / InChI

Molecular Formula C20H11NO3
Molecular Weight 313.3062
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 21:59:32 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:32 GMT 2025
Record UNII
B94L1G141W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-HYDROXY-1-NITROBENZO(E)PYRENE
Preferred Name English
8-NITRO-BENZO(E)PYREN-1-OL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10151158
Created by admin on Mon Mar 31 21:59:32 GMT 2025 , Edited by admin on Mon Mar 31 21:59:32 GMT 2025
PRIMARY
FDA UNII
B94L1G141W
Created by admin on Mon Mar 31 21:59:32 GMT 2025 , Edited by admin on Mon Mar 31 21:59:32 GMT 2025
PRIMARY
CAS
115664-51-2
Created by admin on Mon Mar 31 21:59:32 GMT 2025 , Edited by admin on Mon Mar 31 21:59:32 GMT 2025
PRIMARY
PUBCHEM
146566
Created by admin on Mon Mar 31 21:59:32 GMT 2025 , Edited by admin on Mon Mar 31 21:59:32 GMT 2025
PRIMARY