Basic information
- CAS
150446-00-7- Standard SMILES
Cc1c(C=NOCc2cccc([N+](=O)[O-])c2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1- InChIKey
YMWBYSRPDYXSDP-UHFFFAOYSA-N- Molecular formula
- C24H20N4O5
- Average molar mass
- 444.4 g/mol
- Monoisotopic mass
- 444.14336975
Names & identifiers
- Preferred name
- 2-Methyl-5-nitro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde O-((3-nitrophenyl)methyl)oxime
- IUPAC
- 1-(1-benzyl-2-methyl-5-nitroindol-3-yl)-N-[(3-nitrophenyl)methoxy]methanimine
Names & synonyms
DTXSID7010307822-Methyl-5-nitro-1-(phenylmethyl)-1H-indole-3-carboxaldehyde O-((3-nitrophenyl)methyl)oxime
Database identifiers
- CAS
150446-00-7- PubChem CID
- 154646
- DTXSID
DTXSID701030782
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…