Basic information
- CAS
29002-47-9- Standard SMILES
O=C(Oc1c([N+](=O)[O-])ccc2cccnc12)c1ccccc1OCc1ccccc1- InChIKey
ADMOOVFKNDGTTO-UHFFFAOYSA-N- Molecular formula
- C23H16N2O5
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.10592162
Names & identifiers
- Preferred name
- Benzoic acid, o-(benzyloxy)-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 2-phenylmethoxybenzoate
- English name
- 7-Nitro-8-quinolyl=o-(benzyloxy)benzoate
- Molecular formula
- C23H16N2O5
- Molecular weight
- 400.38354
Names & synonyms
BRN 1556462BENZOIC ACID, o-(BENZYLOXY)-, 7-NITRO-8-QUINOLYL ESTER8-Quinolinol, 7-nitro-, o-(benzyloxy)benzoateo-(Benzyloxy)benzoic acid 7-nitro-8-quinolyl ester29002-47-9DTXSID90183210RefChem:327761DTXCID001057017-nitroquinolin-8-yl 2-(benzyloxy)benzoateSCHEMBL44653757-Nitro-8-quinolyl=o-(benzyloxy)benzoate
Database identifiers
- CAS
29002-47-9- PubChem CID
- 34412
- DTXSID
DTXSID90183210- Nikkaji
- J73.864F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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