AC1NWWNI
methyl 2-[(5E)-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Also Known As: methyl 2-[(5E)-5-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate|(E)-methyl 2-(5-((1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)propanoate|methyl 2-[(5E)-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
| Molecular Formula | C21H21N3O7S |
|---|---|
| Molecular Weight | 459.11002 g/mol |
| LogP | 3.60874 |
| Topological Polar Surface Area | 120.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.11002 |
| Monoisotopic Mass | 459.11002 |
| Heavy Atoms | 32 |
| Complexity | 1168.3834 |
Chemical Identifiers
| CAS Number | 593266-06-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])OC)C)/C=C/3\C(=O)N(C(=O)S3)C(C)C(=O)OC |
Product Overview
AC1NWWNI (CAS 593266-06-9), with molecular formula C21H21N3O7S and molecular weight 459.11002 g/mol. IUPAC: methyl 2-[(5E)-5-[[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate.
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