Basic information
- Standard SMILES
CCCCCCC(C(=O)OCC)n1cnc([N+](=O)[O-])c1- InChIKey
MQIIRJZOPZWYSN-UHFFFAOYSA-N- Molecular formula
- C13H21N3O4
- Average molar mass
- 283.32 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-nitro-1H-imidazole-1-yl)octanoate
- IUPAC
- ethyl 2-(4-nitroimidazol-1-yl)octanoate
Names & synonyms
SCHEMBL8999683MQIIRJZOPZWYSN-UHFFFAOYSA-Nethyl 2-(4-nitro-1H-imidazol-1-yl)octanoateEthyl 2-(4-nitro-1H-imidazole-1-yl)octanoate4-nitro-a-hexyl-1H-imidazole-1-acetic acid ethyl ester4-nitro-alpha-hexyl-1H-imidazole-1-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 10062368
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 319
Related reactions
18 records
Compound notes
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