sodium [6-nitro-7-(4-oxidanylidenepyridin-1-yl)-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide

Systemtic Name: sodium [6-nitro-7-(4-oxidanylidenepyridin-1-yl)-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide Openeye Name: sodium [6-nitro-7-(4-oxo-1-pyridyl)-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide CAS Name: sodium [6-nitro-7-(4-oxo-1-pyridinyl)-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide IUPAC Name: sodium [6-nitro-7-(4-oxopyridin-1-yl)-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide Traditional Name: sodium [7-(4-keto-1-pyridyl)-6-nitro-3,4-dihydroquinoxalin-3-id-2-yl]cyanamide Formula: C14H9N6NaO3 MolecularWeight: 332.24943

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C(=NC2=CC(=C(C=C2N1)[N+](=O)[O-])N3C=CC(=O)C=C3)NC#N.[Na+]

Isomeric SMILES

[CH-]1C(=NC2=CC(=C(C=C2N1)[N+](=O)[O-])N3C=CC(=O)C=C3)NC#N.[Na+]

InChI

InChI=1S/C14H9N6O3.Na/c15-8-17-14-7-16-10-5-13(20(22)23)12(6-11(10)18-14)19-3-1-9(21)2-4-19;/h1-7,16H,(H,17,18);/q-1;+1