Methyl 5-methyl-3-nitro-2-valerylaminobenzoate
Basic information
- Standard SMILES
CCCCC(=O)Nc1c(C(=O)OC)cc(C)cc1[N+](=O)[O-]- InChIKey
ZWCWEZFSOYULRJ-UHFFFAOYSA-N- Molecular formula
- C14H18N2O5
- Average molar mass
- 294.3 g/mol
Names & identifiers
- Preferred name
- Methyl 5-methyl-3-nitro-2-valerylaminobenzoate
- IUPAC
- methyl 5-methyl-3-nitro-2-(pentanoylamino)benzoate
Names & synonyms
SCHEMBL9193249ZWCWEZFSOYULRJ-UHFFFAOYSA-NMethyl 5-methyl-3-nitro-2-valerylaminobenzoate
Database identifiers
- PubChem CID
- 19792147
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…