Basic information
- Standard SMILES
COC(=O)c1cc2c(c([N+](=O)[O-])c1)NCCN2- InChIKey
UFLRVKPBZDYRRB-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
Names & identifiers
- Preferred name
- Methyl 8-nitro-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate
- IUPAC
- methyl 8-nitro-1,2,3,4-tetrahydroquinoxaline-6-carboxylate
Names & synonyms
SCHEMBL5216901UFLRVKPBZDYRRB-UHFFFAOYSA-NDB-172497Methyl 8-nitro-1,2,3,4-tetrahydro-6-quinoxalinecarboxylatemethyl 8-nitro-1,2,3,4-tetrahydroquinoxaline-6-carboxylate706792-99-6
Database identifiers
- PubChem CID
- 69356331
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
4 records
Compound notes
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