AC1NSQ8N
[2-methoxy-4-[(E)-[[2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Also Known As: AG-670/09858046|2-methoxy-4-[(E)-(2-{[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl}hydrazinylidene)methyl]phenyl 4-nitrobenzoate|[2-methoxy-4-[(E)-[[2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate|(E)-2-methoxy-4-((2-(2-(2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy)acetyl)hydrazono)methyl)phenyl 4-nitrobenzoate|4-(2-{[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]acetyl}carbohydrazonoyl)-2-methoxyphenyl 4-nitrobenzoate
| Molecular Formula | C31H34N4O9 |
|---|---|
| Molecular Weight | 606.2326 g/mol |
| LogP | 5.9737 |
| Topological Polar Surface Area | 172.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.2326 |
| Monoisotopic Mass | 606.2326 |
| Heavy Atoms | 44 |
| Complexity | 1575.9435 |
Chemical Identifiers
| CAS Number | 413607-77-9 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC)[N+](=O)[O-] |
Product Overview
AC1NSQ8N (CAS 413607-77-9), with molecular formula C31H34N4O9 and molecular weight 606.2326 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate.