1-Cyclohexyl-7-(2-methoxycarbonyl-1-pyrrolyl)-6-nitro-2,3(1H,4H)-quinoxalinedione
Basic information
- Standard SMILES
COC(=O)c1cccn1-c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c(=O)n2C1CCCCC1- InChIKey
NOWWLVOBFWBPAJ-UHFFFAOYSA-N- Molecular formula
- C20H20N4O6
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.13828437
Names & identifiers
- Preferred name
- 1-Cyclohexyl-7-(2-methoxycarbonyl-1-pyrrolyl)-6-nitro-2,3(1H,4H)-quinoxalinedione
- IUPAC
- methyl 1-(4-cyclohexyl-7-nitro-2,3-dioxo-1H-quinoxalin-6-yl)pyrrole-2-carboxylate
Names & synonyms
SCHEMBL8610303NOWWLVOBFWBPAJ-UHFFFAOYSA-N1-Cyclohexyl-7-(2-methoxycarbonyl-1-pyrrolyl)-6-nitro-2,3(1H,4H)-quinoxalinedione
Database identifiers
- PubChem CID
- 22097079
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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