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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H8N2O6
Molecular Weight 312.2338
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3',6-Dinitroflavone

SMILES

[O-][N+](=O)C1=CC(=CC=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)[N+]([O-])=O

InChI

InChIKey=CNVQMRWAJHEFGZ-UHFFFAOYSA-N
InChI=1S/C15H8N2O6/c18-13-8-15(9-2-1-3-10(6-9)16(19)20)23-14-5-4-11(17(21)22)7-12(13)14/h1-8H

HIDE SMILES / InChI

Molecular Formula C15H8N2O6
Molecular Weight 312.2338
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 Wed Apr 02 06:44:01 GMT 2025
Edited
by admin
on Wed Apr 02 06:44:01 GMT 2025
Record UNII
ZZ9K44TRN6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Flavone, 3?,6-dinitro-
Preferred Name English
3',6-Dinitroflavone
Common Name English
6-NITRO-2-(3-NITROPHENYL)CHROMEN-4-ONE
Systematic Name English
4H-1-Benzopyran-4-one, 6-nitro-2-(3-nitrophenyl)-
Systematic Name English
6-Nitro-2-(3-nitrophenyl)-4H-1-benzopyran-4-one
Systematic Name English
Code System Code Type Description
PUBCHEM
127714
Created by admin on Wed Apr 02 06:44:01 GMT 2025 , Edited by admin on Wed Apr 02 06:44:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID90143576
Created by admin on Wed Apr 02 06:44:01 GMT 2025 , Edited by admin on Wed Apr 02 06:44:01 GMT 2025
PRIMARY
CAS
100914-36-1
Created by admin on Wed Apr 02 06:44:01 GMT 2025 , Edited by admin on Wed Apr 02 06:44:01 GMT 2025
PRIMARY
FDA UNII
ZZ9K44TRN6
Created by admin on Wed Apr 02 06:44:01 GMT 2025 , Edited by admin on Wed Apr 02 06:44:01 GMT 2025
PRIMARY