Basic information
- Standard SMILES
CC(=O)N1C(=O)C(=C(Cl)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c2cc([N+](=O)[O-])ccc21- InChIKey
AMYQISBOZHIMDW-UHFFFAOYSA-N- Molecular formula
- C26H16ClN3O6
- Average molar mass
- 501.9 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-3-[1-chloro-1-(4-phthalimidomethyl-phenyl)-methylidene]-5-nitro-2-indolinone
- IUPAC
- 2-[[4-[(1-acetyl-5-nitro-2-oxoindol-3-ylidene)-chloromethyl]phenyl]methyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL6320466AMYQISBOZHIMDW-UHFFFAOYSA-N1-acetyl-3-[1-chloro-1-(4-phthalimidomethyl-phenyl)-methylidene]-5-nitro-2-indolinone1-acetyl-3-[1-chloro-1-(4-phthalimidomethyl-phenyl)methylidene}-5-nitro-2-indolinone3-[1-chloro-1-(4-phthalimidomethyl-phenyl)-methylidene]-1-acetyl-5-nitro-2-indolinone
Database identifiers
- PubChem CID
- 69741019
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 990
Related reactions
4 records
Compound notes
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