2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
Basic information
- CAS
420102-45-0- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1- InChIKey
VLUPUAKKLJALSM-UHFFFAOYSA-N- Molecular formula
- C22H13N3O7
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.07534976
Names & identifiers
- Preferred name
- 2-[[4-(4-Nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
- IUPAC
- 2-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acid
Names & synonyms
2-[[4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoyl]amino]benzoic acidCBMicro_049072Oprea1_335020DTXSID60362176420102-45-0BIM-0049224.P001SR-01000218830SR-01000218830-12-[4-(4-Nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamido]benzoic acid2-{[4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoyl]amino}benzoic acid
Database identifiers
- CAS
420102-45-0、5744-00-3- PubChem CID
- 1363726
- DTXSID
DTXSID60362176
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 802
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…