Basic information
- Standard SMILES
O=C(O)C=CC(=O)Oc1ccc(Nc2ccccc2)cc1- InChIKey
ZBVPQJRFYUVYHF-UHFFFAOYSA-N- Molecular formula
- C16H13NO4
- Average molar mass
- 283.28 g/mol
Names & identifiers
- Preferred name
- 4-(4-Anilinophenoxy)-4-oxobut-2-enoic acid
- IUPAC
- 4-(4-anilinophenoxy)-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL11554195
Database identifiers
- PubChem CID
- 70608903
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
1 records
Compound notes
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