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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H13FN2O4
Molecular Weight 304.2731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-2-nitroaniline

SMILES

NC1=C(C=C(C=C1)C2(OCCO2)C3=CC=C(F)C=C3)[N+]([O-])=O

InChI

InChIKey=ISYYBUVYPKLKIJ-UHFFFAOYSA-N
InChI=1S/C15H13FN2O4/c16-12-4-1-10(2-5-12)15(21-7-8-22-15)11-3-6-13(17)14(9-11)18(19)20/h1-6,9H,7-8,17H2

HIDE SMILES / InChI

Molecular Formula C15H13FN2O4
Molecular Weight 304.2731
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 Tue Apr 01 19:29:51 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:51 GMT 2025
Record UNII
HYA3L5V8SD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-2-nitroaniline
Systematic Name English
4-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]-2-nitrobenzenamine
Preferred Name English
Benzenamine, 4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]-2-nitro-
Systematic Name English
Code System Code Type Description
FDA UNII
HYA3L5V8SD
Created by admin on Tue Apr 01 19:29:51 GMT 2025 , Edited by admin on Tue Apr 01 19:29:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID30214673
Created by admin on Tue Apr 01 19:29:51 GMT 2025 , Edited by admin on Tue Apr 01 19:29:51 GMT 2025
PRIMARY
PUBCHEM
6454886
Created by admin on Tue Apr 01 19:29:51 GMT 2025 , Edited by admin on Tue Apr 01 19:29:51 GMT 2025
PRIMARY
CAS
64420-30-0
Created by admin on Tue Apr 01 19:29:51 GMT 2025 , Edited by admin on Tue Apr 01 19:29:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
264-887-8
Created by admin on Tue Apr 01 19:29:51 GMT 2025 , Edited by admin on Tue Apr 01 19:29:51 GMT 2025
PRIMARY