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Basic information
- CAS
91119-97-0- Standard SMILES
CCOC(=O)C(C)N1C(=O)COc2ccc(C(C)=O)cc21- InChIKey
PCDJMSRCWHEEOL-UHFFFAOYSA-N- Molecular formula
- C15H17NO5
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.11067264
Names & identifiers
- Preferred name
- Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoate
- IUPAC
- ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
Names & synonyms
91119-97-0DTXSID00919941Ethyl 2-(6-acetyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoateRefChem:1084774DTXCID8013488636-Acetyl-2,3-dihydro-alpha-methyl-3-oxo-4H-1,4-benzoxazine-4-acetic acid ethyl esterethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoateBRN 45337764H-1,4-Benzoxazine-4-acetic acid, 6-acetyl-2,3-dihydro-alpha-methyl-3-oxo-, ethyl esterSCHEMBL15797205PCDJMSRCWHEEOL-UHFFFAOYSA-NAKOS016374931
Show more names
2-(6-acetyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propionic acid ethyl ester
Database identifiers
- CAS
91119-97-0- PubChem CID
- 56183
- DTXSID
DTXSID00919941
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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