(5E)-5-[[3-ethoxy-4-(3-nitrophenyl)carbonyloxy-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[3-ethoxy-4-(3-nitrophenyl)carbonyloxy-phenyl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[3-ethoxy-4-(3-nitrobenzoyl)oxy-phenyl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[3-ethoxy-4-[(3-nitrophenyl)-oxomethoxy]phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[3-ethoxy-4-(3-nitrobenzoyl)oxyphenyl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[3-ethoxy-4-(3-nitrobenzoyl)oxy-benzylidene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H14N3O7S- MolecularWeight: 440.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N=C2[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)N=C2[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O7S/c1-2-29-16-9-11(8-14-17(24)21-20(31)22-18(14)25)6-7-15(16)30-19(26)12-4-3-5-13(10-12)23(27)28/h3-10H,2H2,1H3,(H2,21,22,24,25,31)/p-1