Basic information
- Standard SMILES
N#CNC(=NCCO[N+](=O)[O-])c1ccco1- InChIKey
HTQSBDIQTSOVAI-UHFFFAOYSA-N- Molecular formula
- C8H8N4O4
- Average molar mass
- 224.17 g/mol
- Monoisotopic mass
- 224.05455475
Names & identifiers
- Preferred name
- N-cyano-N'-(2-nitroxyethyl)-2-furancarboximidamide
- IUPAC
- 2-[[(cyanoamino)-(furan-2-yl)methylidene]amino]ethyl nitrate
Names & synonyms
SCHEMBL9209174SCHEMBL9217331HTQSBDIQTSOVAI-UHFFFAOYSA-NN-cyano-N'-(2-nitroxyethyl)-2-furancarboximidamide
Database identifiers
- PubChem CID
- 10105009
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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