(5E)-5-[(3-methoxy-5-nitro-2-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(3-methoxy-5-nitro-2-oxidanidyl-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-5-[(3-methoxy-5-nitro-2-oxido-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(3-methoxy-5-nitro-2-oxidophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(3-methoxy-5-nitro-2-oxidophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-6-keto-5-(3-methoxy-5-nitro-2-oxido-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C15H11N3O6S-2 MolecularWeight: 361.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O6S/c1-3-4-17-14(21)10(13(20)16-15(17)25)6-8-5-9(18(22)23)7-11(24-2)12(8)19/h3,5-7,19H,1,4H2,2H3,(H,16,20,25)/p-2/b10-6+