Basic information
- Standard SMILES
Cc1ccc(CO)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O- InChIKey
OXVFFXQNXJOGNI-CAOOACKPSA-N- Molecular formula
- C16H15N3O5
- Average molar mass
- 329.31 g/mol
- Monoisotopic mass
- 329.10117059
Names & identifiers
- Preferred name
- 3-ME-6-Hydroxymethyl-salicylaldehyde,P-nitrobenz
- IUPAC
- N-[(E)-[2-hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylideneamino]-4-nitrobenzamide
Names & synonyms
DTXSID208779783-ME-6-HYDROXYMETHYL-SALICYLALDEHYDE,P-NITROBENZN'-{(E)-[2-Hydroxy-6-(hydroxymethyl)-3-methylphenyl]methylidene}-4-nitrobenzohydrazide
Database identifiers
- PubChem CID
- 138395673
- DTXSID
DTXSID20877978
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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