Basic information
- Standard SMILES
COC(=O)COc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1- InChIKey
XIMMVSCWWDQZFM-UHFFFAOYSA-N- Molecular formula
- C17H13N3O5
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.08552052
Names & identifiers
- Preferred name
- 6-Methoxycarbonylmethoxy-8-(3-nitrophenyl)-1,7-naphthyridine
- IUPAC
- methyl 2-[[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]oxy]acetate
Names & synonyms
SCHEMBL7016572XIMMVSCWWDQZFM-UHFFFAOYSA-N6-Methoxycarbonylmethoxy-8-(3-nitrophenyl)-1,7-naphthyridine
Database identifiers
- PubChem CID
- 23284643
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
2 records
Compound notes
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