Basic information
- CAS
825611-47-0- Standard SMILES
O=[N+]([O-])c1ccc(C=Cc2cc(-c3ccccc3O)nn2-c2ccccc2)cc1- InChIKey
GZGWFLDERUKRNU-UHFFFAOYSA-N- Molecular formula
- C23H17N3O3
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.12699141
Names & identifiers
- Preferred name
- 6-{5-[2-(4-Nitrophenyl)ethenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene}cyclohexa-2,4-dien-1-one
- IUPAC
- 2-[5-[2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
Names & synonyms
825611-47-0DTXSID308375486-{5-[2-(4-Nitrophenyl)ethenyl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene}cyclohexa-2,4-dien-1-one6-{5-[2-(4-Nitrophenyl)ethen-1-yl]-1-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene}cyclohexa-2,4-dien-1-one
Database identifiers
- CAS
825611-47-0- PubChem CID
- 136235196
- DTXSID
DTXSID30837548
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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