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Details

Stereochemistry RACEMIC
Molecular Formula C20H17NO6
Molecular Weight 367.3521
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITROPHARIN

SMILES

CCC(=O)CC(C1=CC=C(C=C1)[N+]([O-])=O)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=KYNMKEMSEAXQAD-UHFFFAOYSA-N
InChI=1S/C20H17NO6/c1-2-14(22)11-16(12-7-9-13(10-8-12)21(25)26)18-19(23)15-5-3-4-6-17(15)27-20(18)24/h3-10,16,23H,2,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C20H17NO6
Molecular Weight 367.3521
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:37:51 GMT 2025
Edited
by admin
on Wed Apr 02 04:37:51 GMT 2025
Record UNII
E9DBP8Z2PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITROFARIN
Preferred Name English
NITROPHARIN
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-(4-NITROPHENYL)-3-OXOPENTYL)-
Systematic Name English
3-(1-(4-NITROPHENYL)-3-OXOPENTYL)-2-OXO-2H-CHROMEN-4-OL
Systematic Name English
Code System Code Type Description
CAS
123980-28-9
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
ALTERNATIVE
CAS
17298-36-1
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
CAS
1164541-46-1
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
ALTERNATIVE
SMS_ID
100000176350
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
FDA UNII
E9DBP8Z2PY
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
EVMPD
SUB191196
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
PUBCHEM
54682134
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID60938254
Created by admin on Wed Apr 02 04:37:51 GMT 2025 , Edited by admin on Wed Apr 02 04:37:51 GMT 2025
PRIMARY
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SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY