Basic information
- CAS
129661-61-6- Standard SMILES
COc1ccc(N=Cc2ncc([N+](=O)[O-])n2C)cc1OC- InChIKey
FETUPNBGHLHUHL-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.10150494
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-N-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)benzenamine
- IUPAC
- N-(3,4-dimethoxyphenyl)-1-(1-methyl-5-nitroimidazol-2-yl)methanimine
Names & synonyms
3,4-Dimethoxy-N-((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)benzenamine129661-61-6
Database identifiers
- CAS
129661-61-6- PubChem CID
- 148154
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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