Benzoic acid, 3,5-dimethoxy-, 7-nitro-8-quinolyl ester
Basic information
- CAS
29007-62-3- Standard SMILES
COc1cc(OC)cc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1- InChIKey
NLBFZBFNANIREN-UHFFFAOYSA-N- Molecular formula
- C18H14N2O6
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 354.08518617
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-dimethoxy-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 3,5-dimethoxybenzoate
- English name
- 7-Nitro-8-quinolinyl=3,5-dimethoxybenzoate
- Molecular formula
- C18H14N2O6
- Molecular weight
- 354.31356
Names & synonyms
29007-62-3BENZOIC ACID, 3,5-DIMETHOXY-, 7-NITRO-8-QUINOLYL ESTER3,5-Dimethoxybenzoic acid, 7-nitro-8-quinolyl ester8-Quinolinol, 7-nitro-, 3,5-dimethoxybenzoateDTXSID10183257RefChem:327082DTXCID201057487-NITROQUINOLIN-8-YL 3,5-DIMETHOXYBENZOATESCHEMBL44613207-Nitro-8-quinolinyl=3,5-dimethoxybenzoate
Database identifiers
- CAS
29007-62-3- PubChem CID
- 34433
- DTXSID
DTXSID10183257- Nikkaji
- J83.359B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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