AC1O16Q5
[4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate
Also Known As: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate|[4-[2-cyano-2-[(4-nitrophenyl)carbamoyl]ethenyl]-2-methoxy-phenyl] 4-methoxybenzoate|4-{2-cyano-2-[(4-nitrophenyl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenyl 4-methoxybenzoate
CAS: 522604-08-6
| Molecular Formula | C25H19N3O7 |
|---|---|
| Molecular Weight | 473.1223 g/mol |
| LogP | 4.37688 |
| Topological Polar Surface Area | 140.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.1223 |
| Monoisotopic Mass | 473.1223 |
| Heavy Atoms | 35 |
| Complexity | 1324.6616 |
Chemical Identifiers
| CAS Number | 522604-08-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
AC1O16Q5 (CAS 522604-08-6), with molecular formula C25H19N3O7 and molecular weight 473.1223 g/mol. IUPAC: [4-[(E)-2-cyano-3-(4-nitroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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