Basic information
- CAS
61675-18-1- Standard SMILES
Cn1cc(C=C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc21- InChIKey
AJVIIUYASUNPSQ-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609238
Names & identifiers
- Preferred name
- 1H-Indole, 1-methyl-3-(2-nitroethenyl)-6-(phenylmethoxy)-
- IUPAC
- 1-methyl-3-(2-nitroethenyl)-6-phenylmethoxyindole
Names & synonyms
61675-18-11H-Indole, 1-methyl-3-(2-nitroethenyl)-6-(phenylmethoxy)-DTXSID303154176-(Benzyloxy)-1-methyl-3-(2-nitroethen-1-yl)-1H-indole
Database identifiers
- CAS
61675-18-1- PubChem CID
- 325544
- DTXSID
DTXSID30315417
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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