2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[(E)-2-(3-methoxy-4-propargyloxy-phenyl)vinyl]-5-nitro-1H-pyrimidin-4-olate Formula: C16H12N3O6- MolecularWeight: 342.28298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC#C

InChI

InChI=1S/C16H13N3O6/c1-3-8-25-11-6-4-10(9-12(11)24-2)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h1,4-7,9H,8H2,2H3,(H2,17,18,20,21)/p-1/b7-5+