3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
Basic information
- CAS
6901-51-5- Standard SMILES
CCOc1ccccc1C=CC(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
KUUUSLQQZTWBHG-UHFFFAOYSA-N- Molecular formula
- C17H16N2O4
- Average molar mass
- 312.32 g/mol
- Monoisotopic mass
- 312.111007
Names & identifiers
- Preferred name
- 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
- IUPAC
- 3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
Names & synonyms
6901-51-5AC1NQPPG3-(2-ethoxyphenyl)-N-(3-nitrophenyl)prop-2-enamideDTXSID50411480
Database identifiers
- CAS
6901-51-5- PubChem CID
- 5226683
- DTXSID
DTXSID50411480
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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