Basic information
- Standard SMILES
COc1cc(C(=O)NCCO)cc([N+](=O)[O-])c1- InChIKey
WCVKEEKVVBCLFB-UHFFFAOYSA-N- Molecular formula
- C10H12N2O5
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07462149
Names & identifiers
- Preferred name
- N-(2-hydroxyethyl)-3-methoxy-5-nitrobenzamide
- IUPAC
- N-(2-hydroxyethyl)-3-methoxy-5-nitrobenzamide
Names & synonyms
SCHEMBL3576870WCVKEEKVVBCLFB-UHFFFAOYSA-NN-(2-hydroxyethyl)-3-methoxy-5-nitrobenzamide
Database identifiers
- PubChem CID
- 59353091
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
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