Basic information
- Standard SMILES
COC(=O)c1ccc(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1- InChIKey
PJMLGQIYGZZASU-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O4
- Average molar mass
- 318.71 g/mol
Names & identifiers
- Preferred name
- (E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate
- IUPAC
- methyl 4-[(4-chloro-3-nitrophenyl)methylideneamino]benzoate
Names & synonyms
1343462-67-8methyl (E)-4-((4-chloro-3-nitrobenzylidene)amino)benzoateSCHEMBL2532862SCHEMBL2532863PJMLGQIYGZZASU-RQZCQDPDSA-NAKOS003410084(E)-methyl 4-(4-chloro-3-nitrobenzylidenamino)benzoate(E)-methyl 4-(4-chloro-3-nitrobenzylideneamino)benzoate
Database identifiers
- PubChem CID
- 904455
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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