Basic information
- CAS
5848-88-4- Standard SMILES
CC(CC(=O)Nc1cccnc1)=NNC(=O)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
JGZFDVIBZLAEEC-UHFFFAOYSA-N- Molecular formula
- C16H14ClN5O4
- Average molar mass
- 375.76 g/mol
- Monoisotopic mass
- 375.0734316
Names & identifiers
- Preferred name
- 3-[2-(2-Chloro-4-nitrobenzoyl)hydrazinylidene]-N-(pyridin-3-yl)butanamide
- IUPAC
- 2-chloro-4-nitro-N-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide
Names & synonyms
5848-88-4DTXSID604112543-[2-(2-Chloro-4-nitrobenzoyl)hydrazinylidene]-N-(pyridin-3-yl)butanamide
Database identifiers
- CAS
5848-88-4- PubChem CID
- 5223635
- DTXSID
DTXSID60411254
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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