Basic information
- Standard SMILES
CC(=O)N1C(=O)C(=C(Cl)c2cccc(C)c2)c2cc([N+](=O)[O-])ccc21- InChIKey
MEQCKWYCIFAHLK-UHFFFAOYSA-N- Molecular formula
- C18H13ClN2O4
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.0563846
Names & identifiers
- Preferred name
- 1-Acetyl-3-[1-chloro-1-(m-tolyl)-methylidene)-5-nitro-2-indolinone
- IUPAC
- 1-acetyl-3-[chloro-(3-methylphenyl)methylidene]-5-nitroindol-2-one
Names & synonyms
SCHEMBL6326931MEQCKWYCIFAHLK-UHFFFAOYSA-N1-acetyl-3-[1-chloro-1-(m-tolyl)-methylidene)-5-nitro-2-indolinone
Database identifiers
- PubChem CID
- 69743248
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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