Basic information
- CAS
857-90-9- Standard SMILES
O=C(CC(Nc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
AQAJDCYEPKGWOL-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13174244
Names & identifiers
- Preferred name
- Stk007075
- IUPAC
- 3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one
Names & synonyms
857-90-9STK007075DTXSID30388000RefChem:382047DTXCID803390221-(4-nitrophenyl)-3-phenyl-3-(phenylamino)propan-1-one3-anilino-1-(4-nitrophenyl)-3-phenylpropan-1-one1-Propanone, 1-(4-nitrophenyl)-3-phenyl-3-(phenylamino)-AKOS000343771AKOS0220871573-anilino-1-(4-nitrophenyl)-3-phenyl-1-propanone1-(4-nitrophenyl)-3-phenyl-3-(phenylamino) propan-1-one
Database identifiers
- CAS
857-90-9- PubChem CID
- 2966499
- DTXSID
DTXSID30388000- Nikkaji
- J3.172.076A
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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