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

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

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-4-10(2)26-12-7-5-11(9-13(12)25-3)6-8-14-18-16(21)15(20(23)24)17(22)19-14/h5-10H,4H2,1-3H3,(H2,18,19,21,22)/p-1/b8-6+/t10-/m0/s1