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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (4,326)
Complex Aldehydes (4,268)
Dicarbonyl Compounds (580)
Alpha beta-unsaturated carbonyl compounds (547)
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841 – 855 of 6,893 results
841

Bis(heptafluoroisopropyl)ketone, 97%

CAS: 813-44-5 Molecular Formula: C7F14O Molecular Weight (g/mol): 366.054 MDL Number: MFCD00042087 InChI Key: GRVMOMUDALILLH-UHFFFAOYSA-N Synonym: bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat PubChem CID: 69941 IUPAC Name: 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one SMILES: C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F

PubChem CID 69941
CAS 813-44-5
Molecular Weight (g/mol) 366.054
MDL Number MFCD00042087
SMILES C(=O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
Synonym bis perfluoroisopropyl ketone,1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl pentan-3-one,bis perfluorisopropyl ketone,bis heptafluoroisopropyl ketone,3-pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis trifluoromethyl,perfluoroisopropyl ketone,bis heptafluoroisopropyl methanone,cf3 2cfc o cf cf3 2,3-hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethyl,tert-butyl 2-oxo-1-pyrrolidinecarboxylat
IUPAC Name 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one
InChI Key GRVMOMUDALILLH-UHFFFAOYSA-N
Molecular Formula C7F14O
842

2-Acetylpyridine, 98%

CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006303 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1

PubChem CID 14286
CAS 1122-62-9
Molecular Weight (g/mol) 121.139
MDL Number MFCD00006303
SMILES CC(=O)C1=CC=CC=N1
Synonym 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone
IUPAC Name 1-pyridin-2-ylethanone
InChI Key AJKVQEKCUACUMD-UHFFFAOYSA-N
Molecular Formula C7H7NO
843

2,2-Dibromo-4'-fluoroacetophenone, 98%

CAS: 7542-64-5 Molecular Formula: C8H5Br2FO Molecular Weight (g/mol): 295.933 MDL Number: MFCD03791309 InChI Key: XFFGHBAVJPOWDG-UHFFFAOYSA-N Synonym: 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone PubChem CID: 2783255 IUPAC Name: 2,2-dibromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)C(Br)Br)F

PubChem CID 2783255
CAS 7542-64-5
Molecular Weight (g/mol) 295.933
MDL Number MFCD03791309
SMILES C1=CC(=CC=C1C(=O)C(Br)Br)F
Synonym 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone
IUPAC Name 2,2-dibromo-1-(4-fluorophenyl)ethanone
InChI Key XFFGHBAVJPOWDG-UHFFFAOYSA-N
Molecular Formula C8H5Br2FO
844

2-Acetylbenzoic acid, 98+%

CAS: 577-56-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002475 InChI Key: QDAWXRKTSATEOP-UHFFFAOYSA-N Synonym: o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid PubChem CID: 68474 IUPAC Name: 2-acetylbenzoic acid SMILES: CC(=O)C1=CC=CC=C1C(O)=O

PubChem CID 68474
CAS 577-56-0
Molecular Weight (g/mol) 164.16
MDL Number MFCD00002475
SMILES CC(=O)C1=CC=CC=C1C(O)=O
Synonym o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid
IUPAC Name 2-acetylbenzoic acid
InChI Key QDAWXRKTSATEOP-UHFFFAOYSA-N
Molecular Formula C9H8O3
845

4-Acetamidoacetophenone, 98%

CAS: 2719-21-3 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.2 MDL Number: MFCD00014965 InChI Key: WECHHDJTILFYQT-UHFFFAOYSA-N Synonym: 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone PubChem CID: 75937 IUPAC Name: N-(4-acetylphenyl)acetamide SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C

PubChem CID 75937
CAS 2719-21-3
Molecular Weight (g/mol) 177.2
MDL Number MFCD00014965
SMILES CC(=O)C1=CC=C(C=C1)NC(=O)C
Synonym 4'-acetamidoacetophenone,n-4-acetylphenyl acetamide,4-acetamidoacetophenone,n-p-acetylphenyl acetamide,acetamide, n-4-acetylphenyl,p-acetylaminoacetophenone,4-acetylacetanilide,4'-acetylacetanilide,p-acetamidoacetophenone,4-acetamido-acetophenone
IUPAC Name N-(4-acetylphenyl)acetamide
InChI Key WECHHDJTILFYQT-UHFFFAOYSA-N
Molecular Formula C10H11NO2
846

Ethyl 2-chloro-4,4,4-trifluoroacetoacetate, 94%

CAS: 363-58-6 Molecular Formula: C6H6ClF3O3 Molecular Weight (g/mol): 218.56 MDL Number: MFCD00041540 InChI Key: YVWUNJVPOCYLIM-VKHMYHEASA-N Synonym: ethyl 2-chloro-4,4,4-trifluoroacetoacetate,ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate,ethyl 2-chloro-4,4,4-trifluoro-3-oxobutyrate,2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester,2-chloro-4,4,4-trifluoroacetoacetic acid ethyl ester,butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester,zlchem 1230,acmc-1cs5z,ethyl chlorotrifluoroacetoacetate,ethyl 2-chloro-3-keto-trifluorobutyrate PubChem CID: 2737165 IUPAC Name: ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F

PubChem CID 2737165
CAS 363-58-6
Molecular Weight (g/mol) 218.56
MDL Number MFCD00041540
SMILES CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F
Synonym ethyl 2-chloro-4,4,4-trifluoroacetoacetate,ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate,ethyl 2-chloro-4,4,4-trifluoro-3-oxobutyrate,2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester,2-chloro-4,4,4-trifluoroacetoacetic acid ethyl ester,butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester,zlchem 1230,acmc-1cs5z,ethyl chlorotrifluoroacetoacetate,ethyl 2-chloro-3-keto-trifluorobutyrate
IUPAC Name ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate
InChI Key YVWUNJVPOCYLIM-VKHMYHEASA-N
Molecular Formula C6H6ClF3O3
847

4-Chromanone, 98+%

CAS: 491-37-2 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00006840 InChI Key: MSTDXOZUKAQDRL-UHFFFAOYSA-N Synonym: 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone PubChem CID: 68110 IUPAC Name: 2,3-dihydrochromen-4-one SMILES: C1COC2=CC=CC=C2C1=O

PubChem CID 68110
CAS 491-37-2
Molecular Weight (g/mol) 148.161
MDL Number MFCD00006840
SMILES C1COC2=CC=CC=C2C1=O
Synonym 4-chromanone,chroman-4-one,chromanone,4h-1-benzopyran-4-one, 2,3-dihydro,2,3-dihydro-4h-chromen-4-one,2,3-dihydro-1-benzopyran-4-one,isochromanone,3,4-dihydro-2h-1-benzopyran-4-one,2,3-dihydro-4h-1-benzopyran-4-one,dihydrochromone
IUPAC Name 2,3-dihydrochromen-4-one
InChI Key MSTDXOZUKAQDRL-UHFFFAOYSA-N
Molecular Formula C9H8O2
848

3,4-Hexanedione, 96%

CAS: 4437-51-8 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00010237 InChI Key: KVFQMAZOBTXCAZ-UHFFFAOYSA-N Synonym: 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd PubChem CID: 62539 IUPAC Name: hexane-3,4-dione SMILES: CCC(=O)C(=O)CC

PubChem CID 62539
CAS 4437-51-8
Molecular Weight (g/mol) 114.14
MDL Number MFCD00010237
SMILES CCC(=O)C(=O)CC
Synonym 3,4-hexanedione,bipropionyl,dipropionyl,diethyl diketone,3,4-hexane dione,unii-4m4npr5vgd,3,4-hexandione,fema no. 3168,ccris 6295,4m4npr5vgd
IUPAC Name hexane-3,4-dione
InChI Key KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Molecular Formula C6H10O2
849

4'-(Trifluoromethyl)acetophenone, 98+%

CAS: 709-63-7 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00000401 InChI Key: HHAISVSEJFEWBZ-UHFFFAOYSA-N Synonym: 4'-trifluoromethyl acetophenone,1-4-trifluoromethyl phenyl ethanone,1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethylacetophenone,4-acetylbenzotrifluoride,4-trifluoromethyl acetophenone,p-trifluoromethylacetophenone,4'-trifluoromethylacetophenone,ethanone, 1-4-trifluoromethyl phenyl PubChem CID: 69731 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 69731
CAS 709-63-7
Molecular Weight (g/mol) 188.149
MDL Number MFCD00000401
SMILES CC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4'-trifluoromethyl acetophenone,1-4-trifluoromethyl phenyl ethanone,1-4-trifluoromethyl phenyl ethan-1-one,4-trifluoromethylacetophenone,4-acetylbenzotrifluoride,4-trifluoromethyl acetophenone,p-trifluoromethylacetophenone,4'-trifluoromethylacetophenone,ethanone, 1-4-trifluoromethyl phenyl
IUPAC Name 1-[4-(trifluoromethyl)phenyl]ethanone
InChI Key HHAISVSEJFEWBZ-UHFFFAOYSA-N
Molecular Formula C9H7F3O
850

1,3-Diacetylbenzene, 99%, Thermo Scientific Chemicals

CAS: 6781-42-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008740 InChI Key: VCHOFVSNWYPAEF-UHFFFAOYSA-N Synonym: 1,3-diacetylbenzene,1,1'-1,3-phenylene diethanone,ethanone, 1,1'-1,3-phenylene bis,m-diacetylbenzene,benzene-1,3-bis acetyl,m-acetylacetophenone,m-acetyl acetophenone,1-3-acetylphenyl ethanone,1-3-acetylphenyl ethan-1-one,m-diacetyl benzene PubChem CID: 23229 IUPAC Name: 1-(3-acetylphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)C(C)=O

PubChem CID 23229
CAS 6781-42-6
Molecular Weight (g/mol) 162.19
MDL Number MFCD00008740
SMILES CC(=O)C1=CC(=CC=C1)C(C)=O
Synonym 1,3-diacetylbenzene,1,1'-1,3-phenylene diethanone,ethanone, 1,1'-1,3-phenylene bis,m-diacetylbenzene,benzene-1,3-bis acetyl,m-acetylacetophenone,m-acetyl acetophenone,1-3-acetylphenyl ethanone,1-3-acetylphenyl ethan-1-one,m-diacetyl benzene
IUPAC Name 1-(3-acetylphenyl)ethanone
InChI Key VCHOFVSNWYPAEF-UHFFFAOYSA-N
Molecular Formula C10H10O2
851

4'-Hydroxyoctanophenone, 99%

CAS: 2589-73-3 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.31 MDL Number: MFCD00082694 InChI Key: GPDYSJOGSNWMDZ-UHFFFAOYSA-N Synonym: 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone PubChem CID: 75767 IUPAC Name: 1-(4-hydroxyphenyl)octan-1-one SMILES: CCCCCCCC(=O)C1=CC=C(O)C=C1

PubChem CID 75767
CAS 2589-73-3
Molecular Weight (g/mol) 220.31
MDL Number MFCD00082694
SMILES CCCCCCCC(=O)C1=CC=C(O)C=C1
Synonym 4-octanoylphenol,1-4-hydroxyphenyl octan-1-one,4'-hydroxyoctanophenone,1-octanone, 1-4-hydroxyphenyl,octanophenone, 4'-hydroxy,unii-e2e77z6duk,e2e77z6duk,1-4-hydroxyphenyl-1-octanone
IUPAC Name 1-(4-hydroxyphenyl)octan-1-one
InChI Key GPDYSJOGSNWMDZ-UHFFFAOYSA-N
Molecular Formula C14H20O2
852

Ethyl (4-bromobenzoyl)acetate, 95%

CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.1 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br

PubChem CID 2757149
CAS 26510-95-2
Molecular Weight (g/mol) 271.1
MDL Number MFCD00231243
SMILES CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
Synonym ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester
IUPAC Name ethyl 3-(4-bromophenyl)-3-oxopropanoate
InChI Key PBDYXCKRDRCJDC-UHFFFAOYSA-N
Molecular Formula C11H11BrO3
853

4'-Benzyloxy-3'-methoxyacetophenone, 98%, Thermo Scientific Chemicals

CAS: 1835-11-6 Molecular Formula: C16H16O3 Molecular Weight (g/mol): 256.301 MDL Number: MFCD00017326 InChI Key: HRUAWSQBQLYDKH-UHFFFAOYSA-N Synonym: 1-4-benzyloxy-3-methoxyphenyl ethanone,4'-benzyloxy-3'-methoxyacetophenone,4-benzyloxy-3-methoxyacetophenone,acetophenone, 4'-benzyloxy-3'-methoxy,1-3-methoxy-4-phenylmethoxy phenyl ethanone,1-4-benzyloxy-3-methoxyphenyl ethan-1-one,1-3-methoxy-4-phenylmethoxyphenyl ethanone,ethanone, 1-3-methoxy-4-phenylmethoxy phenyl PubChem CID: 99215 IUPAC Name: 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

PubChem CID 99215
CAS 1835-11-6
Molecular Weight (g/mol) 256.301
MDL Number MFCD00017326
SMILES CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
Synonym 1-4-benzyloxy-3-methoxyphenyl ethanone,4'-benzyloxy-3'-methoxyacetophenone,4-benzyloxy-3-methoxyacetophenone,acetophenone, 4'-benzyloxy-3'-methoxy,1-3-methoxy-4-phenylmethoxy phenyl ethanone,1-4-benzyloxy-3-methoxyphenyl ethan-1-one,1-3-methoxy-4-phenylmethoxyphenyl ethanone,ethanone, 1-3-methoxy-4-phenylmethoxy phenyl
IUPAC Name 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
InChI Key HRUAWSQBQLYDKH-UHFFFAOYSA-N
Molecular Formula C16H16O3
854

1-Indanone, 99+%

CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.162 MDL Number: MFCD00003785 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21

PubChem CID 6735
CAS 83-33-0
Molecular Weight (g/mol) 132.162
ChEBI CHEBI:17404
MDL Number MFCD00003785
SMILES C1CC(=O)C2=CC=CC=C21
Synonym 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone
IUPAC Name 2,3-dihydroinden-1-one
InChI Key QNXSIUBBGPHDDE-UHFFFAOYSA-N
Molecular Formula C9H8O
855

2-(2-Nitro-4-trifluoromethylbenzoyl)-1,3-cyclohexanedione, 95%

CAS: 104206-65-7 Molecular Formula: C14H10F3NO5 Molecular Weight (g/mol): 329.231 MDL Number: MFCD01752192 InChI Key: OUBCNLGXQFSTLU-UHFFFAOYSA-N Synonym: nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona PubChem CID: 115355 ChEBI: CHEBI:50378 IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione SMILES: C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

PubChem CID 115355
CAS 104206-65-7
Molecular Weight (g/mol) 329.231
ChEBI CHEBI:50378
MDL Number MFCD01752192
SMILES C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
Synonym nitisinone,orfadin,nitisone,ntbc,2-2-nitro-4-trifluoromethyl benzoyl cyclohexane-1,3-dione,2-2-nitro-4-trifluoromethylbenzoyl-1,3-cyclohexanedione,nitisinone usan:inn,nitisinone inn,nitisinona
IUPAC Name 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione
InChI Key OUBCNLGXQFSTLU-UHFFFAOYSA-N
Molecular Formula C14H10F3NO5