Basic information
- Standard SMILES
COc1cc(C(C)C)ccc1C1(N=[N+]=[N-])C(=O)c2cccc([N+](=O)[O-])c2C1=O- InChIKey
KTKPFUWBRPZVMY-UHFFFAOYSA-N- Molecular formula
- C19H16N4O5
- Average molar mass
- 380.4 g/mol
Names & identifiers
- Preferred name
- 2-Azido-2-(4-isopropyl-2-methoxyphenyl)-4-nitro-2H-inden-1,3-dione
- IUPAC
- 2-azido-2-(2-methoxy-4-propan-2-ylphenyl)-4-nitroindene-1,3-dione
Names & synonyms
SCHEMBL15641997KTKPFUWBRPZVMY-UHFFFAOYSA-N2-Azido-2-(4-isopropyl-2-methoxyphenyl)-4-nitro-2H-inden-1,3-dione
Database identifiers
- PubChem CID
- 71476972
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 714
Related reactions
1 records
Compound notes
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