AC1MFR2Z
methyl 4-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate
Also Known As: CCG-4780|SR-01000494482-1|methyl 4-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate|methyl 4-({5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate|methyl 4-(5-(2-(4-methyl-3-nitrophenyl)-2-oxoethoxy)-5-oxopentanamido)benzoate|Methyl 4-[4-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethoxy]carbonylbutanoylamino]benzoate|METHYL 4-{5-[2-(4-METHYL-3-NITROPHENYL)-2-OXOETHOXY]-5-OXOPENTANAMIDO}BENZOATE
| Molecular Formula | C22H22N2O8 |
|---|---|
| Molecular Weight | 442.1376 g/mol |
| LogP | 3.22472 |
| Topological Polar Surface Area | 141.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.1376 |
| Monoisotopic Mass | 442.1376 |
| Heavy Atoms | 32 |
| Complexity | 1030.7263 |
Chemical Identifiers
| CAS Number | 355431-82-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)C(=O)OC)[N+](=O)[O-] |
Product Overview
AC1MFR2Z (CAS 355431-82-2), with molecular formula C22H22N2O8 and molecular weight 442.1376 g/mol. IUPAC: methyl 4-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl]amino]benzoate.
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