Basic information
- Standard SMILES
COc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1- InChIKey
VJUROJBWDHBLOX-UHFFFAOYSA-N- Molecular formula
- C14H15NO5
- Average molar mass
- 277.27 g/mol
Names & identifiers
- Preferred name
- 5-[(3-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(3-methoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Names & synonyms
213699-52-65-[(3-Methoxyphenylamino)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-[(3-methoxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-(((3-methoxyphenyl)amino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dioneMFCD029365915-{[(3-methoxyphenyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione5-((3-methoxyphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-{[(3-Methoxyphenyl)amino]methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione5-{[(3-Methoxyphenyl)amino]methylene}-2,2-dimethyl-1,3-dioxane-4,6-dioneSMR000107435MLS000111513SCHEMBL708062
Show more names
CHEMBL3196375SCHEMBL30015141VJUROJBWDHBLOX-UHFFFAOYSA-NHMS1645D20HMS2405H15AC7712STK730768AKOS002140046
Database identifiers
- PubChem CID
- 757248
- ChEMBL
CHEMBL3196375- Nikkaji
- J2.567.751J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
14 records
Compound notes
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