Basic information
- Standard SMILES
COc1cc(-c2noc(C)n2)c(C(=O)c2ccccc2)c([N+](=O)[O-])c1O- InChIKey
ALXCOLUMIRVWKA-UHFFFAOYSA-N- Molecular formula
- C17H13N3O6
- Average molar mass
- 355.3 g/mol
Names & identifiers
- Preferred name
- [3-Hydroxy-4-methoxy-6-(5-methyl-[1,2,4]oxadiazol-3-yl)-2-nitrophenyl]phenylmethanone
- IUPAC
- [3-hydroxy-4-methoxy-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]-phenylmethanone
Names & synonyms
SCHEMBL1618128ALXCOLUMIRVWKA-UHFFFAOYSA-N[3-Hydroxy-4-methoxy-6-(5-methyl-[1,2,4]oxadiazol-3-yl)-2-nitrophenyl]phenylmethanone
Database identifiers
- PubChem CID
- 136201962
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
4 records
Compound notes
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