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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-propan-2-yloxy-phenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(4-isopropoxy-3-methoxy-phenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(4-isopropoxy-3-methoxy-phenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C16H16N3O6- MolecularWeight: 346.31474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C16H17N3O6/c1-9(2)25-11-6-4-10(8-12(11)24-3)5-7-13-17-15(20)14(19(22)23)16(21)18-13/h4-9H,1-3H3,(H2,17,18,20,21)/p-1/b7-5+