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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 Isonitrosobenzoylacetone

SMILES

CC(=O)C(=N/O)\C(=O)C1=CC=CC=C1

InChI

InChIKey=JVPIIQSFMRUIAP-PKNBQFBNSA-N
InChI=1S/C10H9NO3/c1-7(12)9(11-14)10(13)8-5-3-2-4-6-8/h2-6,14H,1H3/b11-9+

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 12:03:15 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:15 GMT 2023
Record UNII
B48UDZ8JM6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isonitrosobenzoylacetone
Common Name English
2-(N-Hydroxyimino)-1-phenylbutane-1,3-dione
Systematic Name English
2-(Hydroxyimino)-1-phenylbutan-1,3-dione
Systematic Name English
1-Isonitroso-1-benzoylacetone
Systematic Name English
2-ethyl-5-isopropylphenol
Common Name English
2-Hydroxyimino-1-phenyl-1,3-butanedione
Systematic Name English
1-Benzoyl-1-isonitrosoacetone
Systematic Name English
1-Phenylbutane-1,2,3-trione 2-oxime
Systematic Name English
1,2,3-Butanetrione, 1-phenyl-, 2-oxime
Systematic Name English
(2E)-2-hydroxyimino-1-phenylbutane-1,3-dione
Systematic Name English
Code System Code Type Description
CAS
6797-44-0
Created by admin on Sat Dec 16 12:03:15 GMT 2023 , Edited by admin on Sat Dec 16 12:03:15 GMT 2023
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FDA UNII
B48UDZ8JM6
Created by admin on Sat Dec 16 12:03:15 GMT 2023 , Edited by admin on Sat Dec 16 12:03:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID9064479
Created by admin on Sat Dec 16 12:03:15 GMT 2023 , Edited by admin on Sat Dec 16 12:03:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-869-6
Created by admin on Sat Dec 16 12:03:15 GMT 2023 , Edited by admin on Sat Dec 16 12:03:15 GMT 2023
PRIMARY
PUBCHEM
9576558
Created by admin on Sat Dec 16 12:03:15 GMT 2023 , Edited by admin on Sat Dec 16 12:03:15 GMT 2023
PRIMARY