C12H11NO5
249.22 g/mol
Pharmaceutical IntermediateWarning
Methyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate
CAS39562-17-9
Category
Pharmaceutical Intermediate
Compound Class
Ester
Primary Use
Pharmaceutical Intermediate
This compound is a chemical compound used as a pharmaceutical intermediate. It features an aromatic ring and ester functional groups, with a molecular weight of approximately 249.
Pharmaceutical intermediate
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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Related Compounds
SimilarStructure SimilarSimilarity 0.75
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SimilarStructure SimilarSimilarity 0.74
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Safety Reference
Warning
H317May cause an allergic skin reaction
H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects
H302Harmful if swallowed
Customs Tariff Classification
The international HS code for Methyl 2-[(3-Nitrophenyl)methylene]-3-oxobutanoate (CAS 39562-17-9) is 2918.30.
HS code (international, 6-digit)
2918.30
EU CN code (8-digit)
2918 30 00
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
methyl 2-[(3-nitrophenyl)methylidene]-3-oxobutanoate
InChIKey
LYUBYLJQOZIBQB-UHFFFAOYSA-N
SMILES
CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC
Synonyms (7)
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