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

Systemtic Name: 6-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 4-keto-6-[(E)-2-[3-methoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-5-nitro-1H-pyrimidin-2-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=C(C(=O)N=C(N2)[O-])[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6/c1-4-10(2)26-13-8-6-11(9-14(13)25-3)5-7-12-15(20(23)24)16(21)19-17(22)18-12/h5-10H,4H2,1-3H3,(H2,18,19,21,22)/p-1/b7-5+/t10-/m0/s1