4,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one
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Basic information
- Standard SMILES
CCC1(CC)OC(=O)Nc2ccc([N+](=O)[O-])cc21- InChIKey
NJTBNOAOHCDIMB-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
Names & identifiers
- Preferred name
- 4,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one
- IUPAC
- 4,4-diethyl-6-nitro-1H-3,1-benzoxazin-2-one
Names & synonyms
4,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-oneSCHEMBL4845321NJTBNOAOHCDIMB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20042099
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 348
Related reactions
6 records
Compound notes
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