Basic information
- CAS
29002-09-3- Standard SMILES
CCOc1cccc(C(=O)Oc2c([N+](=O)[O-])ccc3cccnc23)c1- InChIKey
GSPLWVCWRITULV-UHFFFAOYSA-N- Molecular formula
- C18H14N2O5
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 338.09027155
Names & identifiers
- Preferred name
- Benzoic acid, m-ethoxy-, 7-nitro-8-quinolyl ester
- IUPAC
- (7-nitroquinolin-8-yl) 3-ethoxybenzoate
- English name
- 7-Nitro-8-quinolinyl=m-ethoxybenzoate
- Molecular formula
- C18H14N2O5
- Molecular weight
- 338.31416
Names & synonyms
BENZOIC ACID, m-ETHOXY-, 7-NITRO-8-QUINOLYL ESTER29002-09-3BRN 15507738-Quinolinol, 7-nitro-, m-ethoxybenzoatem-Ethoxybenzoic acid 7-nitro-8-quinolyl esterDTXSID90183199RefChem:327742DTXCID501056907-Nitro-8-quinolinyl=m-ethoxybenzoate(7-nitroquinolin-8-yl) 3-ethoxybenzoate7-NITROQUINOLIN-8-YL 3-ETHOXYBENZOATEorb1986406
Show more names
SCHEMBL4465729AKOS040750768T30400
Database identifiers
- CAS
29002-09-3- PubChem CID
- 34390
- DTXSID
DTXSID90183199- Nikkaji
- J83.396G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 481
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…