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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O3
Molecular Weight 280.2781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

SMILES

OC(=O)C1=CC(CC2=NNC(=O)C3=C2C=CC=C3)=CC=C1

InChI

InChIKey=LOEQJTGFMWZFBM-UHFFFAOYSA-N
InChI=1S/C16H12N2O3/c19-15-13-7-2-1-6-12(13)14(17-18-15)9-10-4-3-5-11(8-10)16(20)21/h1-8H,9H2,(H,18,19)(H,20,21)

HIDE SMILES / InChI

Molecular Formula C16H12N2O3
Molecular Weight 280.2781
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 17:45:06 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:06 GMT 2025
Record UNII
684DM2Q7T9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((4-Hydroxyphthalazin-1-yl)methyl)benzoic acid
Preferred Name English
3-((4-Oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid
Systematic Name English
Benzoic acid, 3-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-
Systematic Name English
3-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]benzoic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
25131906
Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025
PRIMARY
CAS
420846-72-6
Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025
PRIMARY
FDA UNII
684DM2Q7T9
Created by admin on Wed Apr 02 17:45:06 GMT 2025 , Edited by admin on Wed Apr 02 17:45:06 GMT 2025
PRIMARY