Basic information
- Standard SMILES
CC(C)(C)c1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1- InChIKey
PXASPSOWQITRBS-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3
- Average molar mass
- 313.35 g/mol
Names & identifiers
- Preferred name
- 4-amino-N-(4-tert-butylphenyl)-3-nitrobenzamide
- IUPAC
- 4-amino-N-(4-tert-butylphenyl)-3-nitrobenzamide
Names & synonyms
4-amino-N-(4-tert-butylphenyl)-3-nitrobenzamideSCHEMBL1250585PXASPSOWQITRBS-UHFFFAOYSA-NAKOS008482813
Database identifiers
- PubChem CID
- 8779856
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Related reactions
4 records
Compound notes
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