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

Systemtic Name: 6-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-isobutoxy-3-methoxy-phenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-isobutoxy-3-methoxy-phenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C17H18N3O6- MolecularWeight: 360.34132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-10(2)9-26-13-7-5-11(8-14(13)25-3)4-6-12-15(20(23)24)16(21)19-17(22)18-12/h4-8,10H,9H2,1-3H3,(H2,18,19,21,22)/p-1/b6-4+