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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(NN=Cc2cccnc2)c([N+](=O)[O-])c1- InChIKey
VPLLHFPNAOBFOL-UHFFFAOYSA-N- Molecular formula
- C12H9N5O4
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.06545379
Names & identifiers
- Preferred name
- 2,4-dinitro-N-(pyridin-3-ylmethylideneamino)aniline
- IUPAC
- 2,4-dinitro-N-(pyridin-3-ylmethylideneamino)aniline
Names & synonyms
AKOS034405369
Database identifiers
- PubChem CID
- 249347
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
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Compound notes
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