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Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO3
Molecular Weight 191.1834
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-nitrophenyl)but-3-en-2-one, (E)-

SMILES

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

InChI

InChIKey=OPKJBIYOZSELCA-AATRIKPKSA-N
InChI=1S/C10H9NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-7H,1H3/b6-5+

HIDE SMILES / InChI

Molecular Formula C10H9NO3
Molecular Weight 191.1834
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:06:08 GMT 2023
Edited
by admin
on Sat Dec 16 20:06:08 GMT 2023
Record UNII
38DY6S7X2Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-nitrophenyl)but-3-en-2-one, (E)-
Systematic Name English
3-Buten-2-one, 4-(3-nitrophenyl)-, (3E)-
Systematic Name English
(E)-4-(3-Nitrophenyl)-3-buten-2-one
Systematic Name English
m-Nitrobenzalacetone
Systematic Name English
NSC-402628
Code English
m-Nitrobenzylideneacetone
Systematic Name English
4-(3-Nitrophenyl)-3-buten-2-one
Systematic Name English
(3E)-4-(3-Nitrophenyl)-3-buten-2-one
Systematic Name English
Code System Code Type Description
PUBCHEM
5374502
Created by admin on Sat Dec 16 20:06:08 GMT 2023 , Edited by admin on Sat Dec 16 20:06:08 GMT 2023
PRIMARY
CAS
30625-99-1
Created by admin on Sat Dec 16 20:06:08 GMT 2023 , Edited by admin on Sat Dec 16 20:06:08 GMT 2023
PRIMARY
FDA UNII
38DY6S7X2Q
Created by admin on Sat Dec 16 20:06:08 GMT 2023 , Edited by admin on Sat Dec 16 20:06:08 GMT 2023
PRIMARY
CAS
7466-48-0
Created by admin on Sat Dec 16 20:06:08 GMT 2023 , Edited by admin on Sat Dec 16 20:06:08 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY