Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1- InChIKey
IYNJXEKSFHOBOD-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O5
- Average molar mass
- 335.7 g/mol
Names & identifiers
- Preferred name
- N-(5-Chloropyridin-2-yl)-4-methoxycarbonyl-2-nitrobenzamide
- IUPAC
- methyl 4-[(5-chloro-2-pyridinyl)carbamoyl]-3-nitrobenzoate
Names & synonyms
SCHEMBL4858061IYNJXEKSFHOBOD-UHFFFAOYSA-NN-(5-Chloropyridin-2-yl)-4-methoxycarbonyl-2-nitrobenzamide
Database identifiers
- PubChem CID
- 21906271
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Related reactions
4 records
Compound notes
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