AC1NWX3I
3-[(4E)-4-[(3-ethoxy-4-hydroxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: AK-968/37172068|SR-01000262566-1|3-(4-{3-ethoxy-4-hydroxy-2-nitrobenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid|(E)-3-(4-(3-ethoxy-4-hydroxy-2-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid|3-[(4E)-4-(3-ethoxy-4-hydroxy-2-nitrobenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid|3-[(4E)-4-[(3-ETHOXY-4-HYDROXY-2-NITROPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]BENZOIC ACID|3-[4-[(3-ethoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid|3-[4-[(E)-(3-ethoxy-2-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
| Molecular Formula | C20H17N3O7 |
|---|---|
| Molecular Weight | 411.10666 g/mol |
| LogP | 3.2034 |
| Topological Polar Surface Area | 142.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.10666 |
| Monoisotopic Mass | 411.10666 |
| Heavy Atoms | 30 |
| Complexity | 1121.3783 |
Chemical Identifiers
| CAS Number | 354547-12-9 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C/2\C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)O |
Product Overview
AC1NWX3I (CAS 354547-12-9), with molecular formula C20H17N3O7 and molecular weight 411.10666 g/mol. IUPAC: 3-[(4E)-4-[(3-ethoxy-4-hydroxy-2-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.