6-Methoxy-2-(3-nitrobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
Basic information
- CAS
154226-85-4- Standard SMILES
COc1ccc2c(c1)CC/C(=C\c1cccc([N+](=O)[O-])c1)C2=O- InChIKey
QGEQIILWCFISKY-NTEUORMPSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- 6-Methoxy-2-(3-nitrobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
- IUPAC
- (2E)-6-methoxy-2-[(3-nitrophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Names & synonyms
6-METHOXY-2-(3-NITROBENZYLIDENE)-3,4-DIHYDRO-1(2H)-NAPHTHALENONEAKOS002345174AB00075178-01AI-346/113550302-{3-nitrobenzylidene}-6-methoxy-3,4-dihydro-1(2H)-naphthalenone
Database identifiers
- CAS
154226-85-4- PubChem CID
- 2054595
- EC Number
- 123-079-4
- Nikkaji
- J1.899.724J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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