2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxy-phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxy-phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[2-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[2-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C18H20N3O6- MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6/c1-4-11(3)27-13-8-6-12(10-14(13)26-5-2)7-9-15-19-17(22)16(21(24)25)18(23)20-15/h6-11H,4-5H2,1-3H3,(H2,19,20,22,23)/p-1/t11-/m0/s1