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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11N3O3
Molecular Weight 281.2661
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Nitrophenyl)-5-phenyl-4H-pyrazol-3-one

SMILES

[O-][N+](=O)C1=CC=C(C=C1)N2N=C(CC2=O)C3=CC=CC=C3

InChI

InChIKey=HLGVWDSKISYREV-UHFFFAOYSA-N
InChI=1S/C15H11N3O3/c19-15-10-14(11-4-2-1-3-5-11)16-17(15)12-6-8-13(9-7-12)18(20)21/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula C15H11N3O3
Molecular Weight 281.2661
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 Sat Dec 16 16:31:34 GMT 2023
Edited
by admin
on Sat Dec 16 16:31:34 GMT 2023
Record UNII
NB6Y2SX5HF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Nitrophenyl)-5-phenyl-4H-pyrazol-3-one
Systematic Name English
2,4-Dihydro-2-(4-nitrophenyl)-5-phenyl-3H-pyrazol-3-one
Systematic Name English
3H-Pyrazol-3-one, 2,4-dihydro-2-(4-nitrophenyl)-5-phenyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
2828935
Created by admin on Sat Dec 16 16:31:34 GMT 2023 , Edited by admin on Sat Dec 16 16:31:34 GMT 2023
PRIMARY
FDA UNII
NB6Y2SX5HF
Created by admin on Sat Dec 16 16:31:34 GMT 2023 , Edited by admin on Sat Dec 16 16:31:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID50385218
Created by admin on Sat Dec 16 16:31:34 GMT 2023 , Edited by admin on Sat Dec 16 16:31:34 GMT 2023
PRIMARY
CAS
60798-14-3
Created by admin on Sat Dec 16 16:31:34 GMT 2023 , Edited by admin on Sat Dec 16 16:31:34 GMT 2023
PRIMARY