Basic information
- CAS
61588-02-1- Standard SMILES
CC1=NOC(=O)C1=Cc1ccc([N+](=O)[O-])cc1- InChIKey
BLHMUVYAYXTPCU-UHFFFAOYSA-N- Molecular formula
- C11H8N2O4
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.04840674
Names & identifiers
- Preferred name
- 5(4H)-Isoxazolone, 3-methyl-4-[(4-nitrophenyl)methylene]-, (Z)-
- IUPAC
- 3-methyl-4-[(4-nitrophenyl)methylidene]-1,2-oxazol-5-one
Names & synonyms
61588-02-15(4H)-Isoxazolone, 3-methyl-4-[(4-nitrophenyl)methylene]-, (Z)-(Z)-3-Methyl-4-(4-nitrobenzylidene)isoxazol-5(4H)-oneDTXSID90327213NCI60_0123203-methyl-4-(4-nitrobenzylidene)isoxazol-5(4h)-one3-Methyl-4-[(4-nitrophenyl)methylidene]-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
61588-02-1- PubChem CID
- 367459
- DTXSID
DTXSID90327213
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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