Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc3cn[nH]c3c2)cc1NCc1ccccc1- InChIKey
CANLIPVYLYDYOL-UHFFFAOYSA-N- Molecular formula
- C20H16N4O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.12224039
Names & identifiers
- Preferred name
- benzyl-[5-(1H-indazol-6-yloxy)-2-nitrophenyl]-amine
- IUPAC
- N-benzyl-5-(1H-indazol-6-yloxy)-2-nitroaniline
Names & synonyms
SCHEMBL2932169CANLIPVYLYDYOL-UHFFFAOYSA-Nbenzyl-[5-(1H-indazol-6-yloxy)-2-nitrophenyl]-amine
Database identifiers
- PubChem CID
- 68445941
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 494
Related reactions
3 records
Compound notes
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