Basic information
- CAS
63981-16-8- Standard SMILES
Cc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2O)c1- InChIKey
ZHSZKAUBTWMIHX-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- Benzamide, N-(2,5-dimethylphenyl)-2-hydroxy-3-nitro-
- IUPAC
- N-(2,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
- English name
- N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide
- Molecular formula
- C15H14N2O4
- Molecular weight
- 286.28
Names & synonyms
63981-16-8BENZAMIDE, N-(2,5-DIMETHYLPHENYL)-2-HYDROXY-3-NITRO-DTXSID50213880RefChem:1078043DTXCID80136371N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamideCHEMBL4645352',5'-Salicyloxylidide, 3-nitro-NSC820292', 3-nitro-SCHEMBL7161422BDBM50274867
Show more names
NSC 82029NSC-82029NCI60_041801DB-308466Benzamide,5-dimethylphenyl)-2-hydroxy-3-nitro-
Database identifiers
- CAS
63981-16-8- PubChem CID
- 45953
- DTXSID
DTXSID50213880- ChEMBL
CHEMBL464535- Nikkaji
- J149.113J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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