Basic information
- Standard SMILES
Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1- InChIKey
PWQNCUHMNPCEDI-UHFFFAOYSA-N- Molecular formula
- C24H21N3O4
- Average molar mass
- 415.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-cyano-1-methylethyl)-N-[2-methyl-5-(4-nitrophenoxy)phenyl]benzamide
- IUPAC
- 3-(2-cyanopropan-2-yl)-N-[2-methyl-5-(4-nitrophenoxy)phenyl]benzamide
Names & synonyms
SCHEMBL2197297PWQNCUHMNPCEDI-UHFFFAOYSA-N3-(1-cyano-1-methylethyl)-N-[2-methyl-5-(4-nitrophenoxy)phenyl]benzamide
Database identifiers
- PubChem CID
- 67313680
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 687
Related reactions
4 records
Compound notes
Loading…