(5E)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxy-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[3-methoxy-4-[(5-nitro-2-pyridinyl)oxy]phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[3-methoxy-4-(5-nitropyridin-2-yl)oxyphenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-6-keto-5-[3-methoxy-4-[(5-nitro-2-pyridyl)oxy]benzylidene]-2-thioxo-pyrimidin-4-olate Formula: C17H11N4O6S- MolecularWeight: 399.35744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])OC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c1-26-13-7-9(6-11-15(22)19-17(28)20-16(11)23)2-4-12(13)27-14-5-3-10(8-18-14)21(24)25/h2-8H,1H3,(H2,19,20,22,23,28)/p-1