Basic information
- Standard SMILES
[N-]=[N+]=C1CCc2c(cc(C(=O)OCc3ccccc3)n2Cc2ccc(Cl)c(Cl)c2)C1=O- InChIKey
XDODWBJQESNKNW-UHFFFAOYSA-N- Molecular formula
- C23H17Cl2N3O3
- Average molar mass
- 454.3 g/mol
Names & identifiers
- Preferred name
- Benzyl 5-diazo-1-(3,4-dichlorobenzyl)-4-oxo-4,5,6,7-tetrahydroindole-2-carboxylate
- IUPAC
- benzyl 5-diazo-1-[(3,4-dichlorophenyl)methyl]-4-oxo-6,7-dihydroindole-2-carboxylate
Names & synonyms
SCHEMBL7046244XDODWBJQESNKNW-UHFFFAOYSA-NBenzyl 5-diazo-1-(3,4-dichlorobenzyl)-4-oxo-4,5,6,7-tetrahydroindole-2-carboxylate
Database identifiers
- PubChem CID
- 21702187
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
Related reactions
2 records
Compound notes
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