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

Details

Stereochemistry RACEMIC
Molecular Formula C17H14N4O11
Molecular Weight 450.3133
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DINOFENATE

SMILES

CCC(C)C1=C(OC(=O)OC2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O)C(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=HEJVROKEIMJTIN-UHFFFAOYSA-N
InChI=1S/C17H14N4O11/c1-3-9(2)12-6-11(19(25)26)8-14(21(29)30)16(12)32-17(22)31-15-5-4-10(18(23)24)7-13(15)20(27)28/h4-9H,3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H14N4O11
Molecular Weight 450.3133
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:03:25 GMT 2023
Record UNII
M4I088X8XQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DINOFENATE
Common Name English
B-377
Code English
DIR-2432
Code English
CARBONIC ACID, 2,4-DINITROPHENYL 2-(1-METHYLPROPYL)-4,6-DINITROPHENYL ESTER
Common Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 392200
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID60866866
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
PRIMARY
ALANWOOD
dinofenate
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
PRIMARY
PUBCHEM
43707
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
PRIMARY
FDA UNII
M4I088X8XQ
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
PRIMARY
CAS
61614-62-8
Created by admin on Sat Dec 16 11:03:25 GMT 2023 , Edited by admin on Sat Dec 16 11:03:25 GMT 2023
PRIMARY