Chemical Compound
Methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
CAS Registry Number39562-17-9
Primary record
Methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
- CAS
- 39562-17-9
- PubChem CID
- 5463786
- SMILES
- CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC
- Molecular Formula
- C12H11NO5
- Molecular Weight
- 249.222
- Exact Mass
- 249.0637
- InChI
- InChI=1S/C12H11NO5/c1-8(14)11(12(15)18-2)7-9-4-3-5-10(6-9)13(16)17/h3-7H,1-2H3/b11-7+
- InChIKey
- LYUBYLJQOZIBQB-YRNVUSSQSA-N
- LogP
- 1.7402
- TPSA
- 86.51
Names and synonyms
- 39562-17-9
- Methyl 2-(3-nitrobenzylidene)-3-oxobutanoate
- Benidipine Impurity 9
- methyl 3-nitrobenzylideneacetoacetate
- AC1NUYJS
- Benidipine Impurity 10
- Benidipine Impurity 13
- RefChem:1089287
- 5FDJ5T4G75
- C12H11NO5
- SCHEMBL6271817
- Methyl 2-(3-nitrobenzylidene)acetoacetate
- LYUBYLJQOZIBQB-YRNVUSSQSA-N
- MFCD00142134
- 2-(3-NITROBENZYLIDENE)ACETOACETIC ACID METHYL ESTER
- ZINC4743434
- Methyl 2-(3-nitrobenzylidene)-acetoacetate
- SBB064019
- AKOS001482854
- CID5463786
- Methyl (3-nitrobenzylidene)acetoacetate
- EC 405-270-7
- NCGC00336167-01
- AJ-52127
- AS-75613
- R817
- J211.558A
- TR-036696
- FT-0639556
- methyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate