Basic information
- Standard SMILES
COCc1cc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)ccc(OC)c2o1- InChIKey
VIONJWZYXXBRRN-UHFFFAOYSA-N- Molecular formula
- C18H15NO7
- Average molar mass
- 357.3 g/mol
Names & identifiers
- Preferred name
- 7-Methoxy-2-methoxymethylbenzofuran-4-carboxylic acid 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 7-methoxy-2-(methoxymethyl)-1-benzofuran-4-carboxylate
Names & synonyms
SCHEMBL6609206VIONJWZYXXBRRN-UHFFFAOYSA-N7-methoxy-2-methoxymethylbenzofuran-4-carboxylic acid 4-nitro-phenyl ester7-methoxy-2-methoxymethylbenzofuran-4-carboxylic acid 4-nitrophenyl ester7-methoxy-2-methoxymethylbenzofuran4-carboxylic acid 4-nitro-phenyl ester
Database identifiers
- PubChem CID
- 69838008
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 500
Related reactions
2 records
Compound notes
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