1-(2-(2-(4-Nitrophenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate
Basic information
- CAS
868615-88-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
LSORICWNHWSWFR-STBIYBPSSA-N- Molecular formula
- C28H23N3O7
- Average molar mass
- 513.5 g/mol
- Monoisotopic mass
- 513.15360008
Names & identifiers
- Preferred name
- 1-(2-(2-(4-Nitrophenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate
- IUPAC
- [1-[(E)-[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
- English name
- 1-(2-(2-(4-Nitrophenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 4-methoxybenzoate
- Molecular formula
- C28H23N3O7
- Molecular weight
- 513.5
Names & synonyms
AKOS0244144151-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATEBenzoic acid, 4-methoxy-, 1-[[2-[2-(4-nitrophenoxy)-1-oxopropyl]hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
868615-88-7- PubChem CID
- 9607747
- EC Number
- 136-979-7
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- Density
- 1.298 · 1.298±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.991 · 10.991±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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