Basic information
- Standard SMILES
O=C1C(=Cc2ccccn2)CCc2ccc([N+](=O)[O-])cc21- InChIKey
NNCNVGZUDIUXRX-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 7-Nitro-1-oxo-2-(2-pyridylmethylidene)-1,2,3,4-tetrahydronaphthalene
- IUPAC
- 7-nitro-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Names & synonyms
SCHEMBL6100761NNCNVGZUDIUXRX-UHFFFAOYSA-N7-nitro-1-oxo-2-(2-pyridylmethylidene)-1,2,3,4-tetrahydronaphthalene
Database identifiers
- PubChem CID
- 69664287
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
Loading…