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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N4O5
Molecular Weight 289.2237
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3-CARBAMOYL-1-(2,4-DINITRO-PHENYL)-PYRIDINIUM

SMILES

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

InChI

InChIKey=VWHZJMOVQGPJPN-UHFFFAOYSA-O
InChI=1S/C12H8N4O5/c13-12(17)8-2-1-5-14(7-8)10-4-3-9(15(18)19)6-11(10)16(20)21/h1-7H,(H-,13,17)/p+1

HIDE SMILES / InChI

Molecular Formula C12H9N4O5
Molecular Weight 289.2237
Charge 1
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 18:37:48 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:48 GMT 2023
Record UNII
88W4N2ZJ8V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CARBAMOYL-1-(2,4-DINITRO-PHENYL)-PYRIDINIUM
Systematic Name English
1-(2,4-DINITROPHENYL)PYRIDIN-1-IUM-3-CARBOXAMIDE
Common Name English
3-(AMINOCARBONYL)-1-(2,4-DINITROPHENYL)PYRIDINIUM
Systematic Name English
PYRIDINIUM, 3-(AMINOCARBONYL)-1-(2,4-DINITROPHENYL)-
Systematic Name English
NSC-138469
Code English
Code System Code Type Description
FDA UNII
88W4N2ZJ8V
Created by admin on Sat Dec 16 18:37:49 GMT 2023 , Edited by admin on Sat Dec 16 18:37:49 GMT 2023
PRIMARY
NSC
138469
Created by admin on Sat Dec 16 18:37:49 GMT 2023 , Edited by admin on Sat Dec 16 18:37:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50329612
Created by admin on Sat Dec 16 18:37:49 GMT 2023 , Edited by admin on Sat Dec 16 18:37:49 GMT 2023
PRIMARY
PUBCHEM
421768
Created by admin on Sat Dec 16 18:37:49 GMT 2023 , Edited by admin on Sat Dec 16 18:37:49 GMT 2023
PRIMARY
CAS
47142-25-6
Created by admin on Sat Dec 16 18:37:49 GMT 2023 , Edited by admin on Sat Dec 16 18:37:49 GMT 2023
PRIMARY