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Details

Stereochemistry ACHIRAL
Molecular Formula C9H5NO4
Molecular Weight 191.1403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrocoumarin

SMILES

[O-][N+](=O)C1=CC2=C(OC1=O)C=CC=C2

InChI

InChIKey=YTCVPEZECJYZRK-UHFFFAOYSA-N
InChI=1S/C9H5NO4/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5H

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Nitrocoumarin
Common Name English
Coumarin, 3-nitro-
Preferred Name English
3-Nitro-2H-chromen-2-one
Systematic Name English
3-Nitro-2H-1-benzopyran-2-one
Systematic Name English
2H-1-Benzopyran-2-one, 3-nitro-
Systematic Name English
Code System Code Type Description
FDA UNII
UT6T82NTW8
Created by admin on Wed Apr 02 05:22:58 GMT 2025 , Edited by admin on Wed Apr 02 05:22:58 GMT 2025
PRIMARY
CAS
28448-04-6
Created by admin on Wed Apr 02 05:22:58 GMT 2025 , Edited by admin on Wed Apr 02 05:22:58 GMT 2025
PRIMARY
PUBCHEM
2799766
Created by admin on Wed Apr 02 05:22:58 GMT 2025 , Edited by admin on Wed Apr 02 05:22:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID10384106
Created by admin on Wed Apr 02 05:22:58 GMT 2025 , Edited by admin on Wed Apr 02 05:22:58 GMT 2025
PRIMARY