Basic information
- Standard SMILES
CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1=O- InChIKey
FNJMSKSVAZGQQU-UHFFFAOYSA-N- Molecular formula
- C20H26N2O5
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- 2-[1-(Ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohex-2-en-1-one
- IUPAC
- 2-(N-ethoxy-C-ethylcarbonimidoyl)-3-hydroxy-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohex-2-en-1-one
Names & synonyms
SCHEMBL10679340FNJMSKSVAZGQQU-UHFFFAOYSA-N2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohex-2-en-1-one2-[1-(ethoxyimino)propyl]-3-hydroxy-5-(2,4,6-trimethyl-3-nitrophenyl)cyclohex-2-en-1one
Database identifiers
- PubChem CID
- 136209501
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 637
Related reactions
3 records
Compound notes
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