Basic information
- Standard SMILES
O=c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])cc1- InChIKey
MFWBPQYSXPQJNB-UHFFFAOYSA-N- Molecular formula
- C13H8N4O5
- Average molar mass
- 300.23 g/mol
Names & identifiers
- Preferred name
- 6-nitro-7-(4-oxo-4H-pyridin-1-yl)-1,4-dihydroquinoxaline-2,3-dione
- IUPAC
- 6-nitro-7-(4-oxo-1-pyridinyl)-1,4-dihydroquinoxaline-2,3-dione
Names & synonyms
SCHEMBL8291676MFWBPQYSXPQJNB-UHFFFAOYSA-N6-nitro-7-(4-oxo-4H-pyridin-1-yl)-1,4-dihydroquinoxaline-2,3-dione
Database identifiers
- PubChem CID
- 9861129
- Nikkaji
- J2.122.561D
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 592
Related reactions
3 records
Compound notes
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