Basic information
- Standard SMILES
CNc1cc(Oc2cc(C)c([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-]- InChIKey
MTXVAWOWVKPNAB-UHFFFAOYSA-N- Molecular formula
- C15H15N3O5
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10117059
Names & identifiers
- Preferred name
- N-[5-(3,5-Dimethyl-4-nitrophenoxy)-2-nitrophenyl]-N-methylamine
- IUPAC
- 5-(3,5-dimethyl-4-nitrophenoxy)-N-methyl-2-nitroaniline
Names & synonyms
SCHEMBL487069MTXVAWOWVKPNAB-UHFFFAOYSA-NN-[5-(3,5-Dimethyl-4-nitrophenoxy)-2-nitrophenyl]-N-methylamine
Database identifiers
- PubChem CID
- 86233418
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 424
Related reactions
3 records
Compound notes
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