Basic information
- Standard SMILES
CCCCC(=O)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-]- InChIKey
CRIRBAYREWDQHE-UHFFFAOYSA-N- Molecular formula
- C13H16N2O5
- Average molar mass
- 280.28 g/mol
Names & identifiers
- Preferred name
- Methyl 4-nitro-3-valerylaminobenzoate
- IUPAC
- methyl 4-nitro-3-(pentanoylamino)benzoate
Names & synonyms
SCHEMBL9195505CRIRBAYREWDQHE-UHFFFAOYSA-NMethyl 4-nitro-3-valervlaminobenzoateMethyl 4-nitro-3-valerylaminobenzoate
Database identifiers
- PubChem CID
- 19792184
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
Related reactions
5 records
Compound notes
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