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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 3-NITROBENZO(E)PYRENE

SMILES

[O-][N+](=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C5=CC=CC=C45

InChI

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

PubMed

PubMed

TitleDatePubMed
Effect of nitro substitution on the light-mediated mutagenicity of polycyclic aromatic hydrocarbons in Salmonella typhimurium TA98.
1985 Sep
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:39:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:39:40 GMT 2023
Record UNII
YUT08GK3OK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-NITROBENZO(E)PYRENE
Systematic Name English
BENZO(E)PYRENE, 3-NITRO-
Systematic Name English
J616.284C
Code English
Code System Code Type Description
EPA CompTox
DTXSID801033672
Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023
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CAS
81340-58-1
Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023
PRIMARY
FDA UNII
YUT08GK3OK
Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023
PRIMARY
PUBCHEM
149804
Created by admin on Sat Dec 16 08:39:40 GMT 2023 , Edited by admin on Sat Dec 16 08:39:40 GMT 2023
PRIMARY