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

Systemtic Name: 6-[(E)-2-(3-ethoxy-4-methoxy-5-prop-2-enyl-phenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(3-allyl-5-ethoxy-4-methoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(3-ethoxy-4-methoxy-5-prop-2-enylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(3-allyl-5-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C18H18N3O6- MolecularWeight: 372.35202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC)CC=C)C=CC2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OC)CC=C)/C=C/C2=C(C(=O)N=C(N2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c1-4-6-12-9-11(10-14(27-5-2)16(12)26-3)7-8-13-15(21(24)25)17(22)20-18(23)19-13/h4,7-10H,1,5-6H2,2-3H3,(H2,19,20,22,23)/p-1/b8-7+