Basic information
- Standard SMILES
COc1cc(C(=O)N[C@@H]2CCN(C)C2)ccc1[N+](=O)[O-]- InChIKey
DZUKWHDOIHUPGG-SNVBAGLBSA-N- Molecular formula
- C13H17N3O4
- Average molar mass
- 279.29 g/mol
Names & identifiers
- Preferred name
- 3-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]-4-nitro-benzamide
- IUPAC
- 3-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]-4-nitrobenzamide
Names & synonyms
SCHEMBL3541959DZUKWHDOIHUPGG-SNVBAGLBSA-N3-methoxy-N-[(3R)-1-methylpyrrolidin-3-yl]-4-nitro-benzamide
Database identifiers
- PubChem CID
- 68683036
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Related reactions
6 records
Compound notes
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