Basic information
- Standard SMILES
CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cc2cc([N+](=O)[O-])ccc2o1- InChIKey
NJFROJZTOKPRMF-UHFFFAOYSA-N- Molecular formula
- C18H17N3O5
- Average molar mass
- 355.3 g/mol
Names & identifiers
- Preferred name
- N-Methyl-N-(5-nitrobenzofur-2-ylmethyl)-4-nitrophenethylamine
- IUPAC
- N-methyl-N-[(5-nitro-1-benzofuran-2-yl)methyl]-2-(4-nitrophenyl)ethanamine
Names & synonyms
SCHEMBL9678236NJFROJZTOKPRMF-UHFFFAOYSA-NN-Methyl-N-(5-nitrobenzofur-2-ylmethyl)-4-nitrophenethylamine
Database identifiers
- PubChem CID
- 15735404
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Compound notes
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