2-Nitro-5-piperazinylcinnamic acid ethyl ester hydrochloride
Basic information
- Standard SMILES
CCOC(=O)C=Cc1cc(N2CCNCC2)ccc1[N+](=O)[O-].Cl- InChIKey
BXTHPNAWFNRDGC-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O4
- Average molar mass
- 341.79 g/mol
- Monoisotopic mass
- 341.1142338
Names & identifiers
- Preferred name
- 2-Nitro-5-piperazinylcinnamic acid ethyl ester hydrochloride
- IUPAC
- ethyl 3-(2-nitro-5-piperazin-1-ylphenyl)prop-2-enoate;hydrochloride
Names & synonyms
SCHEMBL11196274BXTHPNAWFNRDGC-UHFFFAOYSA-NEthyl 2-nitro-5-piperazinylcinnamate hydrochloride2-nitro-5-piperazinylcinnamic acid ethyl ester hydrochloride
Database identifiers
- PubChem CID
- 70534672
Properties
Computed structural properties
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
2 records
Compound notes
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