6-nitroquinoxaline-2,3-dione hydrate

Systemtic Name: 6-nitroquinoxaline-2,3-dione hydrate Openeye Name: 6-nitroquinoxaline-2,3-dione hydrate CAS Name: 6-nitroquinoxaline-2,3-dione hydrate IUPAC Name: 6-nitroquinoxaline-2,3-dione hydrate Traditional Name: 6-nitroquinoxaline-2,3-quinone hydrate Formula: C8H5N3O5 MolecularWeight: 223.1424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=O)N=C2C=C1[N+](=O)[O-].O

Isomeric SMILES

C1=CC2=NC(=O)C(=O)N=C2C=C1[N+](=O)[O-].O

InChI

InChI=1S/C8H3N3O4.H2O/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7;/h1-3H;1H2