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

Systemtic Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-ethoxy-4-prop-2-ynoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-ethoxy-4-propargyloxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C17H14N3O6- MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OCC#C

InChI

InChI=1S/C17H15N3O6/c1-3-9-26-13-8-6-11(10-14(13)25-4-2)5-7-12-15(20(23)24)16(21)19-17(22)18-12/h1,5-8,10H,4,9H2,2H3,(H2,18,19,21,22)/p-1/b7-5+