N-(6,8-dimethyl-4-nitro-7-oxobenzo[7]annulen-1-yl)acetamide
Basic information
- CAS
10229-42-2- Standard SMILES
CC(=O)Nc1ccc([N+](=O)[O-])c2cc(C)c(=O)c(C)cc12- InChIKey
WFFXWJQKBMRBFT-UHFFFAOYSA-N- Molecular formula
- C15H14N2O4
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.09535693
Names & identifiers
- Preferred name
- N-(6,8-dimethyl-4-nitro-7-oxobenzo[7]annulen-1-yl)acetamide
- IUPAC
- N-(6,8-dimethyl-4-nitro-7-oxobenzo[7]annulen-1-yl)acetamide
Names & synonyms
10229-42-2NSC82173DTXSID00907343NSC-82173N-(6,8-Dimethyl-4-nitro-7-oxo-7H-benzo[7]annulen-1-yl)ethanimidic acid
Database identifiers
- CAS
10229-42-2- PubChem CID
- 255994
- DTXSID
DTXSID00907343
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 544
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Compound notes
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