6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate

Systemtic Name: 6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Openeye Name: 6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate CAS Name: 6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate IUPAC Name: 6-nitro-1,4-dihydroquinoxaline-2,3-dione hydrate Traditional Name: 6-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrate Formula: C8H7N3O5 MolecularWeight: 225.15828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2.O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=O)N2.O

InChI

InChI=1S/C8H5N3O4.H2O/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7;/h1-3H,(H,9,12)(H,10,13);1H2