Basic information
- Standard SMILES
CCCN(CCC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1- InChIKey
MGIBHBWBGQVHLS-UHFFFAOYSA-N- Molecular formula
- C15H20N2O5
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.13722174
Names & identifiers
- Preferred name
- Methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoate
- IUPAC
- methyl 3-(dipropylcarbamoyl)-5-nitrobenzoate
Names & synonyms
methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoateOprea1_574306SCHEMBL3853810MGIBHBWBGQVHLS-UHFFFAOYSA-NAKOS001072416ST008894methyl 3-(N,N-dipropylcarbamoyl)-5-nitrobenzoate5-nitro-N,N-dipropyl-isophthalamic acid methyl esterZ31777733
Database identifiers
- PubChem CID
- 690570
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Related reactions
24 records
Compound notes
Loading…