Carbonyl compounds
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β-D-(-)-Fructose, Powder, MP Biomedicals™
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:48095 |
| MDL Number | MFCD00148910 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
3,3'-Dimethoxybenzil, 99+%
CAS: 40101-17-5 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00038221 InChI Key: PJGXOGKIVAJFTE-UHFFFAOYSA-N Synonym: 3,3'-dimethoxybenzil,1,2-bis 3-methoxyphenyl ethane-1,2-dione,ethanedione, bis 3-methoxyphenyl,1,2-ethanedione, 1,2-bis 3-methoxyphenyl,bis 3-methoxyphenyl ethane-1,2-dione,bis 3-methoxyphenyl ethanedione,acmc-20a2cz,3,3'-dimethoxy benzil,d01vau,benzil-based compound, 22 PubChem CID: 123493 IUPAC Name: 1,2-bis(3-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC
| PubChem CID | 123493 |
|---|---|
| CAS | 40101-17-5 |
| Molecular Weight (g/mol) | 270.284 |
| MDL Number | MFCD00038221 |
| SMILES | COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC |
| Synonym | 3,3'-dimethoxybenzil,1,2-bis 3-methoxyphenyl ethane-1,2-dione,ethanedione, bis 3-methoxyphenyl,1,2-ethanedione, 1,2-bis 3-methoxyphenyl,bis 3-methoxyphenyl ethane-1,2-dione,bis 3-methoxyphenyl ethanedione,acmc-20a2cz,3,3'-dimethoxy benzil,d01vau,benzil-based compound, 22 |
| IUPAC Name | 1,2-bis(3-methoxyphenyl)ethane-1,2-dione |
| InChI Key | PJGXOGKIVAJFTE-UHFFFAOYSA-N |
| Molecular Formula | C16H14O4 |
4'-Hydroxy-3'-methylacetophenone, 98%
CAS: 876-02-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002231 InChI Key: LXBHHIZIQVZGFN-UHFFFAOYSA-N Synonym: 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene PubChem CID: 70135 SMILES: CC(=O)C1=CC=C(O)C(C)=C1
| PubChem CID | 70135 |
|---|---|
| CAS | 876-02-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00002231 |
| SMILES | CC(=O)C1=CC=C(O)C(C)=C1 |
| Synonym | 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene |
| InChI Key | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Thenoyltrifluoroacetone, MP Biomedicals™
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
3-Bromo-1,1,1-trifluoroacetone, 97%
CAS: 431-35-6 Molecular Formula: C3H2BrF3O Molecular Weight (g/mol): 190.95 MDL Number: MFCD00039237 InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N Synonym: 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone PubChem CID: 79008 IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one SMILES: FC(F)(F)C(=O)CBr
| PubChem CID | 79008 |
|---|---|
| CAS | 431-35-6 |
| Molecular Weight (g/mol) | 190.95 |
| MDL Number | MFCD00039237 |
| SMILES | FC(F)(F)C(=O)CBr |
| Synonym | 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone |
| IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
| InChI Key | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| Molecular Formula | C3H2BrF3O |
5-Fluoroisatin, 98%
CAS: 443-69-6 MDL Number: MFCD00022795 InChI Key: GKODDAXOSGGARJ-UHFFFAOYSA-N Synonym: 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione PubChem CID: 236566 IUPAC Name: 5-fluoro-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1F)C(=O)C(=O)N2
| PubChem CID | 236566 |
|---|---|
| CAS | 443-69-6 |
| MDL Number | MFCD00022795 |
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=O)N2 |
| Synonym | 5-fluoroisatin,5-fluoroindoline-2,3-dione,5-fluoro isatin,5-fluoro-2,3-dihydro-1h-indole-2,3-dione,5-fluoroisatine,5-fluoro-2,3-indoledione,5-fluoroindole-2,3-dione,1h-indole-2,3-dione, 5-fluoro,5-fluoro-2,3-indolinedione,5-fluoro-2,3-indolindione |
| IUPAC Name | 5-fluoro-1H-indole-2,3-dione |
| InChI Key | GKODDAXOSGGARJ-UHFFFAOYSA-N |
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine, 96%
CAS: 84162-82-3 Molecular Formula: C14H15F2NO2 Molecular Weight (g/mol): 267.276 MDL Number: MFCD00179440 InChI Key: UGPWQEIGJWVJDR-UHFFFAOYSA-N Synonym: 4-2',4'-difluorobenzoyl-1-acetylpiperidine,1-4-2,4-difluorobenzoyl piperidin-1-yl ethanone,1-acetylpiperidin-4-yl 2,4-difluorophenyl methanone,1-acetyl-4-2,4-difluorobenzoyl piperidine,1-4-2,4-difluoro-benzoyl-piperidin-1-yl-ethanone,1-acetyl-4-2',4'-difluorobenzoyl piperidine,1-4-2,4-difluorobenzoyl-1-piperidinyl-1-ethanone,1-4-2.4-difluoro-benzoyl-piperidin-1-yl-ethanone,maybridge3_006593 PubChem CID: 2740707 IUPAC Name: 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone SMILES: CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F
| PubChem CID | 2740707 |
|---|---|
| CAS | 84162-82-3 |
| Molecular Weight (g/mol) | 267.276 |
| MDL Number | MFCD00179440 |
| SMILES | CC(=O)N1CCC(CC1)C(=O)C2=C(C=C(C=C2)F)F |
| Synonym | 4-2',4'-difluorobenzoyl-1-acetylpiperidine,1-4-2,4-difluorobenzoyl piperidin-1-yl ethanone,1-acetylpiperidin-4-yl 2,4-difluorophenyl methanone,1-acetyl-4-2,4-difluorobenzoyl piperidine,1-4-2,4-difluoro-benzoyl-piperidin-1-yl-ethanone,1-acetyl-4-2',4'-difluorobenzoyl piperidine,1-4-2,4-difluorobenzoyl-1-piperidinyl-1-ethanone,1-4-2.4-difluoro-benzoyl-piperidin-1-yl-ethanone,maybridge3_006593 |
| IUPAC Name | 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone |
| InChI Key | UGPWQEIGJWVJDR-UHFFFAOYSA-N |
| Molecular Formula | C14H15F2NO2 |
5-Methyl-1-indanone, 97%
CAS: 4593-38-8 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD02179276 InChI Key: KBHCTNGQJOEDDC-UHFFFAOYSA-N Synonym: 5-methyl-1-indanone,5-methyl-2,3-dihydro-1h-inden-1-one,5-methylindan-1-one,5-methyl-indanone,1h-inden-1-one, 2,3-dihydro-5-methyl,5-methy1-2,3-dihydroinden-1-one,5-methylindanone,pubchem8850,1h-inden-1-one,2,3-dihydro-5-methyl PubChem CID: 10130031 IUPAC Name: 5-methyl-2,3-dihydroinden-1-one SMILES: CC1=CC2=C(C=C1)C(=O)CC2
| PubChem CID | 10130031 |
|---|---|
| CAS | 4593-38-8 |
| Molecular Weight (g/mol) | 146.189 |
| MDL Number | MFCD02179276 |
| SMILES | CC1=CC2=C(C=C1)C(=O)CC2 |
| Synonym | 5-methyl-1-indanone,5-methyl-2,3-dihydro-1h-inden-1-one,5-methylindan-1-one,5-methyl-indanone,1h-inden-1-one, 2,3-dihydro-5-methyl,5-methy1-2,3-dihydroinden-1-one,5-methylindanone,pubchem8850,1h-inden-1-one,2,3-dihydro-5-methyl |
| IUPAC Name | 5-methyl-2,3-dihydroinden-1-one |
| InChI Key | KBHCTNGQJOEDDC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O |
3-Acetylthiophene, 98%
CAS: 1468-83-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005468 InChI Key: RNIDWJDZNNVFDY-UHFFFAOYSA-N Synonym: 3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone PubChem CID: 15116 IUPAC Name: 1-thiophen-3-ylethanone SMILES: CC(=O)C1=CSC=C1
| PubChem CID | 15116 |
|---|---|
| CAS | 1468-83-3 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00005468 |
| SMILES | CC(=O)C1=CSC=C1 |
| Synonym | 3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone |
| IUPAC Name | 1-thiophen-3-ylethanone |
| InChI Key | RNIDWJDZNNVFDY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00003779 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.145 |
| ChEBI | CHEBI:78877 |
| MDL Number | MFCD00003779 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
Benzoylacetonitrile, 98+%
CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Benzbromarone, 98%
CAS: 3562-84-3 Molecular Formula: C17H12Br2O3 Molecular Weight (g/mol): 424.08 InChI Key: WHQCHUCQKNIQEC-UHFFFAOYSA-N Synonym: benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron PubChem CID: 2333 ChEBI: CHEBI:3023 IUPAC Name: (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 2333 |
|---|---|
| CAS | 3562-84-3 |
| Molecular Weight (g/mol) | 424.08 |
| ChEBI | CHEBI:3023 |
| SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | benzbromarone,benzbromaron,desuric,urinorm,normurat,uricovac,minuric,exurate,hipurik,azubromaron |
| IUPAC Name | (3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChI Key | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Molecular Formula | C17H12Br2O3 |
3-Oxo-3-(2-thienyl)propionitrile, 98%
CAS: 33898-90-7 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.18 MDL Number: MFCD00052586 InChI Key: XWWUQBHVRILEPB-UHFFFAOYSA-N Synonym: 2-thenoylacetonitrile,3-oxo-3-thiophen-2-yl propanenitrile,3-oxo-3-2-thienyl propanenitrile,3-oxo-3-2-thienyl propionitrile,2-thiophene-2-carbonyl acetonitrile,3-oxo-3-thiophen-2-yl-propionitrile,3-2-thienyl-3-oxopropanenitrile,pubchem8372,then-2-oylacetonitrile,acmc-1csfg PubChem CID: 141853 IUPAC Name: 3-oxo-3-thiophen-2-ylpropanenitrile SMILES: O=C(CC#N)C1=CC=CS1
| PubChem CID | 141853 |
|---|---|
| CAS | 33898-90-7 |
| Molecular Weight (g/mol) | 151.18 |
| MDL Number | MFCD00052586 |
| SMILES | O=C(CC#N)C1=CC=CS1 |
| Synonym | 2-thenoylacetonitrile,3-oxo-3-thiophen-2-yl propanenitrile,3-oxo-3-2-thienyl propanenitrile,3-oxo-3-2-thienyl propionitrile,2-thiophene-2-carbonyl acetonitrile,3-oxo-3-thiophen-2-yl-propionitrile,3-2-thienyl-3-oxopropanenitrile,pubchem8372,then-2-oylacetonitrile,acmc-1csfg |
| IUPAC Name | 3-oxo-3-thiophen-2-ylpropanenitrile |
| InChI Key | XWWUQBHVRILEPB-UHFFFAOYSA-N |
| Molecular Formula | C7H5NOS |
2'-Aminoacetophenone, 98%
CAS: 551-93-9 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007717 InChI Key: GTDQGKWDWVUKTI-UHFFFAOYSA-N Synonym: 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl PubChem CID: 11086 IUPAC Name: 1-(2-aminophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1N
| PubChem CID | 11086 |
|---|---|
| CAS | 551-93-9 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007717 |
| SMILES | CC(=O)C1=CC=CC=C1N |
| Synonym | 2'-aminoacetophenone,1-2-aminophenyl ethanone,o-aminoacetophenone,2-acetylaniline,o-acetylaniline,o-aminoacetylbenzene,1-acetyl-2-aminobenzene,1-2-aminophenyl ethan-1-one,acetophenone, 2'-amino,ethanone, 1-2-aminophenyl |
| IUPAC Name | 1-(2-aminophenyl)ethanone |
| InChI Key | GTDQGKWDWVUKTI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
Ethyl 4-nitrobenzoylacetate, 97%
CAS: 838-57-3 Molecular Formula: C11H11NO5 Molecular Weight (g/mol): 237.211 MDL Number: MFCD00007357 InChI Key: NGRXSVFCLHVGKU-UHFFFAOYSA-N Synonym: ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester PubChem CID: 13281 IUPAC Name: ethyl 3-(4-nitrophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 13281 |
|---|---|
| CAS | 838-57-3 |
| Molecular Weight (g/mol) | 237.211 |
| MDL Number | MFCD00007357 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl 4-nitrobenzoylacetate,ethyl 3-4-nitrophenyl-3-oxopropanoate,ethyl p-nitrobenzoyl acetate,ethyl 4-nitrobenzoyl acetate,p-nitrobenzoyl acetic acid ethyl ester,ethyl p-nitrobenzoylacetate,4-nitrobenzoylacetic acid ethyl ester,ethyl 4-nitro-beta-oxobenzenepropanoate,4-nitrobenzoyl acetic acid ethyl ester,benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-nitrophenyl)-3-oxopropanoate |
| InChI Key | NGRXSVFCLHVGKU-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO5 |