Organooxygen compounds
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1-Bromo-2-naphthaldehyde 96.0+%, TCI America™
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CAS: 3378-82-3 Molecular Formula: C11H7BrO Molecular Weight (g/mol): 235.08 MDL Number: MFCD00046368 InChI Key: CYGUXEZVBLMVRV-UHFFFAOYSA-N PubChem CID: 76909 IUPAC Name: 1-bromonaphthalene-2-carbaldehyde SMILES: BrC1=C2C=CC=CC2=CC=C1C=O
| PubChem CID | 76909 |
|---|---|
| CAS | 3378-82-3 |
| Molecular Weight (g/mol) | 235.08 |
| MDL Number | MFCD00046368 |
| SMILES | BrC1=C2C=CC=CC2=CC=C1C=O |
| IUPAC Name | 1-bromonaphthalene-2-carbaldehyde |
| InChI Key | CYGUXEZVBLMVRV-UHFFFAOYSA-N |
| Molecular Formula | C11H7BrO |
1-Ethoxynaphthalene 95.0+%, TCI America™
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CAS: 5328-01-8 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.23 MDL Number: MFCD00003928 InChI Key: APWZAIZNWQFZBK-UHFFFAOYSA-N Synonym: Ethyl 1-Naphthyl Ether PubChem CID: 21403 IUPAC Name: 1-ethoxynaphthalene SMILES: CCOC1=CC=CC2=CC=CC=C21
| PubChem CID | 21403 |
|---|---|
| CAS | 5328-01-8 |
| Molecular Weight (g/mol) | 172.23 |
| MDL Number | MFCD00003928 |
| SMILES | CCOC1=CC=CC2=CC=CC=C21 |
| Synonym | Ethyl 1-Naphthyl Ether |
| IUPAC Name | 1-ethoxynaphthalene |
| InChI Key | APWZAIZNWQFZBK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
Dodecyl Ether 95.0+%, TCI America™
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CAS: 4542-57-8 Molecular Formula: C24H50O Molecular Weight (g/mol): 354.66 MDL Number: MFCD00026590 InChI Key: CMCBDXRRFKYBDG-UHFFFAOYSA-N Synonym: Didodecyl Ether, Dilauryl Ether, Lauryl Ether PubChem CID: 20667 IUPAC Name: 1-(dodecyloxy)dodecane SMILES: CCCCCCCCCCCCOCCCCCCCCCCCC
| PubChem CID | 20667 |
|---|---|
| CAS | 4542-57-8 |
| Molecular Weight (g/mol) | 354.66 |
| MDL Number | MFCD00026590 |
| SMILES | CCCCCCCCCCCCOCCCCCCCCCCCC |
| Synonym | Didodecyl Ether, Dilauryl Ether, Lauryl Ether |
| IUPAC Name | 1-(dodecyloxy)dodecane |
| InChI Key | CMCBDXRRFKYBDG-UHFFFAOYSA-N |
| Molecular Formula | C24H50O |
2',4'-Dihydroxyacetophenone 98.0+%, TCI America™
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CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 IUPAC Name: 1-(2,4-dihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)ethan-1-one |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-(4-Methylphenyl)-4-oxobutyric Acid 98.0+%, TCI America™
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CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 244162 |
|---|---|
| CAS | 4619-20-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00020541 |
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo |
| IUPAC Name | 4-(4-methylphenyl)-4-oxobutanoic acid |
| InChI Key | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
4-Methyl-2-oxovaleric Acid 95.0+%, TCI America™
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CAS: 816-66-0 Molecular Formula: C6H9NaO3 Molecular Weight (g/mol): 152.13 MDL Number: MFCD00066204 InChI Key: IXFAZKRLPPMQEO-UHFFFAOYSA-M Synonym: 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate PubChem CID: 70 ChEBI: CHEBI:48430 IUPAC Name: sodium 4-methyl-2-oxopentanoate SMILES: [Na+].CC(C)CC(=O)C([O-])=O
| PubChem CID | 70 |
|---|---|
| CAS | 816-66-0 |
| Molecular Weight (g/mol) | 152.13 |
| ChEBI | CHEBI:48430 |
| MDL Number | MFCD00066204 |
| SMILES | [Na+].CC(C)CC(=O)C([O-])=O |
| Synonym | 4-methyl-2-oxovaleric acid,alpha-ketoisocaproic acid,ketoleucine,alpha-ketoisocaproate,pentanoic acid, 4-methyl-2-oxo,2-oxoisocaproate,2-oxo-4-methylpentanoic acid,ketoisocaproate,2-oxoisohexanoate,4-methyl-2-oxopentanoate |
| IUPAC Name | sodium 4-methyl-2-oxopentanoate |
| InChI Key | IXFAZKRLPPMQEO-UHFFFAOYSA-M |
| Molecular Formula | C6H9NaO3 |
1,1-Bis(hydroxymethyl)cyclopropane 96.0+%, TCI America™
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CAS: 39590-81-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00464207 InChI Key: YAINYZJQSQEGND-UHFFFAOYSA-N Synonym: 1,1-bis hydroxymethyl cyclopropane,1-hydroxymethyl cyclopropyl methanol,1-hydroxymethylcyclopropyl methanol,1,1-cyclopropanedimethanol,cyclopropane-1,1-diyldimethanol,1,1-dimetholcyclopropane,1,1-cyclopropyldimethanol,cyclopropanedimethanol,pubchem15258,acmc-209j6f PubChem CID: 4101437 IUPAC Name: [1-(hydroxymethyl)cyclopropyl]methanol SMILES: C1CC1(CO)CO
| PubChem CID | 4101437 |
|---|---|
| CAS | 39590-81-3 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00464207 |
| SMILES | C1CC1(CO)CO |
| Synonym | 1,1-bis hydroxymethyl cyclopropane,1-hydroxymethyl cyclopropyl methanol,1-hydroxymethylcyclopropyl methanol,1,1-cyclopropanedimethanol,cyclopropane-1,1-diyldimethanol,1,1-dimetholcyclopropane,1,1-cyclopropyldimethanol,cyclopropanedimethanol,pubchem15258,acmc-209j6f |
| IUPAC Name | [1-(hydroxymethyl)cyclopropyl]methanol |
| InChI Key | YAINYZJQSQEGND-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
2,8-Dichlorocyclooctanone 98.0+%, TCI America™
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CAS: 108249-93-0 Molecular Formula: C8H12Cl2O Molecular Weight (g/mol): 195.083 MDL Number: MFCD06797089 InChI Key: COOPJLNDURVHCV-UHFFFAOYSA-N PubChem CID: 44630271 IUPAC Name: 2,8-dichlorocyclooctan-1-one SMILES: C1CCC(C(=O)C(CC1)Cl)Cl
| PubChem CID | 44630271 |
|---|---|
| CAS | 108249-93-0 |
| Molecular Weight (g/mol) | 195.083 |
| MDL Number | MFCD06797089 |
| SMILES | C1CCC(C(=O)C(CC1)Cl)Cl |
| IUPAC Name | 2,8-dichlorocyclooctan-1-one |
| InChI Key | COOPJLNDURVHCV-UHFFFAOYSA-N |
| Molecular Formula | C8H12Cl2O |
1,1-Dichloropinacolin 98.0+%, TCI America™
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CAS: 22591-21-5 Molecular Formula: C6H10Cl2O Molecular Weight (g/mol): 169.05 MDL Number: MFCD00069423 InChI Key: UDWZXMQIEHAAQT-UHFFFAOYSA-N Synonym: tert-Butyl Dichloromethyl Ketone, 1,1-Dichloro-3,3-dimethyl-2-butanone, 1,1-Dichloropinacolone PubChem CID: 31432 IUPAC Name: 1,1-dichloro-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)C(Cl)Cl
| PubChem CID | 31432 |
|---|---|
| CAS | 22591-21-5 |
| Molecular Weight (g/mol) | 169.05 |
| MDL Number | MFCD00069423 |
| SMILES | CC(C)(C)C(=O)C(Cl)Cl |
| Synonym | tert-Butyl Dichloromethyl Ketone, 1,1-Dichloro-3,3-dimethyl-2-butanone, 1,1-Dichloropinacolone |
| IUPAC Name | 1,1-dichloro-3,3-dimethylbutan-2-one |
| InChI Key | UDWZXMQIEHAAQT-UHFFFAOYSA-N |
| Molecular Formula | C6H10Cl2O |
2-(m-Tolyl)ethanol 98.0+%, TCI America™
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CAS: 1875-89-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002896 InChI Key: KWHVBVJDKLSOTB-UHFFFAOYSA-N Synonym: 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol PubChem CID: 74648 IUPAC Name: 2-(3-methylphenyl)ethanol SMILES: CC1=CC(=CC=C1)CCO
| PubChem CID | 74648 |
|---|---|
| CAS | 1875-89-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002896 |
| SMILES | CC1=CC(=CC=C1)CCO |
| Synonym | 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol |
| IUPAC Name | 2-(3-methylphenyl)ethanol |
| InChI Key | KWHVBVJDKLSOTB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
Tropaeolin O, TCI America™
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CAS: 547-57-9 Molecular Formula: C12H10N2NaO5S Molecular Weight (g/mol): 317.271 MDL Number: MFCD00007499 InChI Key: YOGUPPQYRWYKGT-IRIIKGHASA-N Synonym: tropaeolin o PubChem CID: 87071197 IUPAC Name: 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium SMILES: C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na]
| PubChem CID | 87071197 |
|---|---|
| CAS | 547-57-9 |
| Molecular Weight (g/mol) | 317.271 |
| MDL Number | MFCD00007499 |
| SMILES | C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)O.[Na] |
| Synonym | tropaeolin o |
| IUPAC Name | 4-[(2Z)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonic acid;sodium |
| InChI Key | YOGUPPQYRWYKGT-IRIIKGHASA-N |
| Molecular Formula | C12H10N2NaO5S |
3-Chloro-4-hydroxybenzaldehyde 97.0+%, TCI America™
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CAS: 2420-16-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.57 MDL Number: MFCD00016981 InChI Key: VGSOCYWCRMXQAB-UHFFFAOYSA-N Synonym: benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde PubChem CID: 17022 IUPAC Name: 3-chloro-4-hydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C=C1Cl
| PubChem CID | 17022 |
|---|---|
| CAS | 2420-16-8 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00016981 |
| SMILES | OC1=CC=C(C=O)C=C1Cl |
| Synonym | benzaldehyde, 3-chloro-4-hydroxy,4-hydroxy-3-chlorobenzaldehyde,3-chloro-4-hydroxy-benzaldehyde,benzaldehyde, 3-chloro-4-hydroxy-8ci 9ci,pubchem7764,acmc-1crqk,3-chlor-4-hydroxybenzaldehyde,5-chloro-4-hyroxybenzaldehyde,5-chloro-4-hydroxybenzaldehyde,3-chloro-4-hydroxy benzaldehyde |
| IUPAC Name | 3-chloro-4-hydroxybenzaldehyde |
| InChI Key | VGSOCYWCRMXQAB-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
TAR 99.0+%, TCI America™
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CAS: 2246-46-0 Molecular Formula: C9H7N3O2S Molecular Weight (g/mol): 221.23 MDL Number: MFCD00005322 InChI Key: UVQWEDPLIFNWSH-YRNVUSSQSA-N Synonym: 4-2-thiazolylazo resorcinol,1,3-benzenediol, 4-2-thiazolylazo,2-2,4-dihydroxyphenylazo thiazole,4-thiazol-2-ylazo resorcinol,4-thiazol-2-yldiazenyl benzene-1,3-diol,4-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,4-e-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,shnikuxmzfppcs-vawyxsnfsa-n,4-e-1,3-thiazol-2-yldiazenyl-1,3-benzenediol # PubChem CID: 9571124 IUPAC Name: (4E)-3-hydroxy-4-[2-(1,3-thiazol-2-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one SMILES: OC1=CC(=O)C=C\C1=N/NC1=NC=CS1
| PubChem CID | 9571124 |
|---|---|
| CAS | 2246-46-0 |
| Molecular Weight (g/mol) | 221.23 |
| MDL Number | MFCD00005322 |
| SMILES | OC1=CC(=O)C=C\C1=N/NC1=NC=CS1 |
| Synonym | 4-2-thiazolylazo resorcinol,1,3-benzenediol, 4-2-thiazolylazo,2-2,4-dihydroxyphenylazo thiazole,4-thiazol-2-ylazo resorcinol,4-thiazol-2-yldiazenyl benzene-1,3-diol,4-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,4-e-2-1,3-thiazol-2-yl diazen-1-yl benzene-1,3-diol,shnikuxmzfppcs-vawyxsnfsa-n,4-e-1,3-thiazol-2-yldiazenyl-1,3-benzenediol # |
| IUPAC Name | (4E)-3-hydroxy-4-[2-(1,3-thiazol-2-yl)hydrazin-1-ylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | UVQWEDPLIFNWSH-YRNVUSSQSA-N |
| Molecular Formula | C9H7N3O2S |
Tetrakis(2,4-pentanedionato)zirconium(IV), TCI America™
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CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
| PubChem CID | 50912253 |
|---|---|
| CAS | 17501-44-9 |
| Molecular Weight (g/mol) | 487.66 |
| MDL Number | MFCD00000036 |
| SMILES | [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
| Synonym | 4-hydroxypent-3-en-2-one; zirconium |
| IUPAC Name | zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) |
| InChI Key | DFPGFWYWSAYLCW-UHFFFAOYSA-N |
| Molecular Formula | C20H28O8Zr |
Ethyl (4-Nitrobenzoyl)acetate 98.0+%, TCI America™
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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 |