Basic information
- Standard SMILES
COCCCN1C(=O)C(C)(C)Oc2ccc([N+](=O)[O-])cc21- InChIKey
GWSPBKYCOOIIRM-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
Names & identifiers
- Preferred name
- 4-(3-methoxy-propyl)-2,2-dimethyl-6-nitro-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 4-(3-methoxypropyl)-2,2-dimethyl-6-nitro-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL89670GWSPBKYCOOIIRM-UHFFFAOYSA-N4-(3-methoxy-propyl)-2,2-dimethyl-6-nitro-4H-benzo[1,4]oxazin-3-one
Database identifiers
- PubChem CID
- 57790722
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 407
Related reactions
4 records
Compound notes
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