Basic information
- Standard SMILES
COc1cc(C(=O)c2ccc([N+](=O)[O-])cc2)c(CC(C)=O)cc1NC(C)=O- InChIKey
XQQJGZHZTYLYKY-UHFFFAOYSA-N- Molecular formula
- C19H18N2O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1164863
Names & identifiers
- Preferred name
- 3-Acetylamino-4-methoxy-6-(4-nitrobenzoyl)-phenylacetone
- IUPAC
- N-[2-methoxy-4-(4-nitrobenzoyl)-5-(2-oxopropyl)phenyl]acetamide
Names & synonyms
SCHEMBL6294136XQQJGZHZTYLYKY-UHFFFAOYSA-N3-Acetylamino-4-methoxy-6-(4-nitrobenzoyl)-phenylacetone
Database identifiers
- PubChem CID
- 69734316
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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