Basic information
- Standard SMILES
COC(=O)c1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Br)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1C(=O)OC- InChIKey
QVZZPXLLPFVHFB-UHFFFAOYSA-N- Molecular formula
- C30H20Br2N4O11
- Average molar mass
- 772.3 g/mol
Names & identifiers
- Preferred name
- 4-[2,4-Bis-(2-bromo-4-nitrobenzoylamino)phenoxy]phthalic acid dimethyl ester
- IUPAC
- dimethyl 4-[2,4-bis[(2-bromo-4-nitrobenzoyl)amino]phenoxy]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL7118448QVZZPXLLPFVHFB-UHFFFAOYSA-N4-[2,4-Bis-(2-bromo-4-nitrobenzoylamino)phenoxy]phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 86759062
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
1 records
Compound notes
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