3-(5-(3-Nitrobenzoyl)-1,3-dioxoisoindolin-2-yl)benzoic acid
3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid
Also Known As: BI-FRB-19b|Oprea1_095616|Oprea1_721524|3-(5-(3-nitrobenzoyl)-1,3-dioxoisoindolin-2-yl)benzoic acid|BAS 00119373|3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid|J2.376.284F|SR-01000360756-1|SR-01000360756-3|3-[1,3-Dioxo-5-(3-nitrobenzoyl)isoindoline-2-yl]benzoic acid|3-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxobenzo[c]azolin-2-yl}benzoic acid|3-[5-(3-Nitro-benzoyl)-1,3-dioxo-1,3-dihydro-isoindol-2-yl]-benzoic acid|3-[5-(3-Nitrobenzoyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoic acid|3-[5-(3-nitrobenzoyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid|3-{5-[(3-nitrophenyl)carbonyl]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}benzoic acid
| Molecular Formula | C22H12N2O7 |
|---|---|
| Molecular Weight | 416.06445 g/mol |
| LogP | 3.3246 |
| Topological Polar Surface Area | 134.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.06445 |
| Monoisotopic Mass | 416.06445 |
| Heavy Atoms | 31 |
| Complexity | 1312.7166 |
Chemical Identifiers
| CAS Number | 295348-05-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O |
Product Overview
3-(5-(3-Nitrobenzoyl)-1,3-dioxoisoindolin-2-yl)benzoic acid (CAS 295348-05-9), with molecular formula C22H12N2O7 and molecular weight 416.06445 g/mol. IUPAC: 3-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoic acid.