Basic information
- Standard SMILES
CCOC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])c(Cl)cc2OC)C(OC)C1- InChIKey
GKVCCRULWCCGDO-UHFFFAOYSA-N- Molecular formula
- C17H22ClN3O7
- Average molar mass
- 415.8 g/mol
- Monoisotopic mass
- 415.1146277
Names & identifiers
- Preferred name
- Ethyl 4-[(4-chloro-2-methoxy-5-nitrobenzoyl)amino]-3-methoxypiperidine-1-carboxylate
- IUPAC
- ethyl 4-[(4-chloro-2-methoxy-5-nitrobenzoyl)amino]-3-methoxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL9790043
Database identifiers
- PubChem CID
- 20071689
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Related reactions
2 records
Compound notes
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