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Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO4
Molecular Weight 233.22
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Pentanedione, 3-(m-nitrobenzylidene)-

SMILES

CC(=O)C(=CC1=CC=CC(=C1)[N+]([O-])=O)C(C)=O

InChI

InChIKey=UXGCGDAMTXPIIJ-UHFFFAOYSA-N
InChI=1S/C12H11NO4/c1-8(14)12(9(2)15)7-10-4-3-5-11(6-10)13(16)17/h3-7H,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2,4-Pentanedione, 3-(m-nitrobenzylidene)-
Systematic Name English
3-[(3-Nitrophenyl)methylene]-2,4-pentanedione
Systematic Name English
2,4-Pentanedione, 3-[(3-nitrophenyl)methylene]-
Systematic Name English
NSC-46599
Code English
1-Acetyl-1-(3-nitrobenzylidene)acetone
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90183457
Created by admin on Sat Dec 16 12:57:08 GMT 2023 , Edited by admin on Sat Dec 16 12:57:08 GMT 2023
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NSC
46599
Created by admin on Sat Dec 16 12:57:08 GMT 2023 , Edited by admin on Sat Dec 16 12:57:08 GMT 2023
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CAS
29197-19-1
Created by admin on Sat Dec 16 12:57:08 GMT 2023 , Edited by admin on Sat Dec 16 12:57:08 GMT 2023
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PUBCHEM
95990
Created by admin on Sat Dec 16 12:57:08 GMT 2023 , Edited by admin on Sat Dec 16 12:57:08 GMT 2023
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FDA UNII
CF77F9N8QE
Created by admin on Sat Dec 16 12:57:08 GMT 2023 , Edited by admin on Sat Dec 16 12:57:08 GMT 2023
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