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

Systemtic Name: 6-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C16H14N3O6- MolecularWeight: 344.29886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6/c1-3-8-25-12-7-5-10(9-13(12)24-2)4-6-11-14(19(22)23)15(20)18-16(21)17-11/h3-7,9H,1,8H2,2H3,(H2,17,18,20,21)/p-1/b6-4+