Basic information
- Standard SMILES
COCCOC(=O)Nc1cccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)c1- InChIKey
ZMKYDOIUXUPXLM-UHFFFAOYSA-N- Molecular formula
- C22H19NO7
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- 4-hydroxy-3-[3-[3-[(2-methoxyethoxy)carbonylamino]phenyl]-1-oxo-2-propenyl]-2H-1-benzopyran-2-one
- IUPAC
- 2-methoxyethyl N-[3-[3-(4-hydroxy-2-oxochromen-3-yl)-3-oxoprop-1-enyl]phenyl]carbamate
Names & synonyms
SCHEMBL3528533ZMKYDOIUXUPXLM-UHFFFAOYSA-N4-hydroxy-3-[3-[3-[(2-methoxyethoxy)carbonylamino]phenyl]-1-oxo-2-propenyl]-2H-1-benzopyran-2-one
Database identifiers
- PubChem CID
- 76211116
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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