Basic information
- Standard SMILES
CC(=Cc1ccccc1N)C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YWTKQRUGLHAUGY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
Names & identifiers
- Preferred name
- 3-(2-Aminophenyl)-2-methyl-2-propenoic acid p-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 3-(2-aminophenyl)-2-methylprop-2-enoate
Names & synonyms
SCHEMBL7879095YWTKQRUGLHAUGY-UHFFFAOYSA-N3-(2-aminophenyl)-2-methyl-2-propenoic acid p-nitrophenyl ester
Database identifiers
- PubChem CID
- 70215465
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 436
Related reactions
4 records
Compound notes
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