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Details

Stereochemistry ACHIRAL
Molecular Formula C16H7NO4
Molecular Weight 277.2311
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-NITROPYRENE-4,5-DIONE

SMILES

[O-][N+](=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C(=O)C4=O

InChI

InChIKey=FFULSSWAQYOBLC-UHFFFAOYSA-N
InChI=1S/C16H7NO4/c18-15-10-3-1-2-8-4-5-9-12(17(20)21)7-6-11(16(15)19)14(9)13(8)10/h1-7H

HIDE SMILES / InChI

Molecular Formula C16H7NO4
Molecular Weight 277.2311
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 21:48:25 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:25 GMT 2025
Record UNII
Q2FA93J8ZJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-NITROPYRENE-4,5-DIONE
Systematic Name English
1-NITRO-4,5-PYRENEDIONE
Preferred Name English
1-NITROPYRENE-4,5-QUINONE
Systematic Name English
4,5-PYRENEDIONE, 1-NITRO-
Systematic Name English
Code System Code Type Description
CAS
102822-04-8
Created by admin on Mon Mar 31 21:48:25 GMT 2025 , Edited by admin on Mon Mar 31 21:48:25 GMT 2025
PRIMARY
PUBCHEM
149165
Created by admin on Mon Mar 31 21:48:25 GMT 2025 , Edited by admin on Mon Mar 31 21:48:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID00145526
Created by admin on Mon Mar 31 21:48:25 GMT 2025 , Edited by admin on Mon Mar 31 21:48:25 GMT 2025
PRIMARY
FDA UNII
Q2FA93J8ZJ
Created by admin on Mon Mar 31 21:48:25 GMT 2025 , Edited by admin on Mon Mar 31 21:48:25 GMT 2025
PRIMARY