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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 3-Nitrosobenzo[a]pyrene

SMILES

O=NC1=C2C=CC3=CC4=CC=CC=C4C5=CC=C(C=C1)C2=C35

InChI

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

HIDE SMILES / InChI

Molecular Formula C20H11NO
Molecular Weight 281.3074
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 Sat Dec 16 20:16:59 GMT 2023
Edited
by admin
on Sat Dec 16 20:16:59 GMT 2023
Record UNII
KP3K4FJM2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Nitrosobenzo[a]pyrene
Systematic Name English
Benzo[a]pyrene, 3-nitroso-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00152836
Created by admin on Sat Dec 16 20:16:59 GMT 2023 , Edited by admin on Sat Dec 16 20:16:59 GMT 2023
PRIMARY
PUBCHEM
147483
Created by admin on Sat Dec 16 20:16:59 GMT 2023 , Edited by admin on Sat Dec 16 20:16:59 GMT 2023
PRIMARY
FDA UNII
KP3K4FJM2M
Created by admin on Sat Dec 16 20:16:59 GMT 2023 , Edited by admin on Sat Dec 16 20:16:59 GMT 2023
PRIMARY
CAS
120388-69-4
Created by admin on Sat Dec 16 20:16:59 GMT 2023 , Edited by admin on Sat Dec 16 20:16:59 GMT 2023
PRIMARY