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

Systemtic Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxy-phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[2-[4-[(2S)-butan-2-yl]oxy-3-ethoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[2-[3-ethoxy-4-[(1S)-1-methylpropoxy]phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C18H21N3O6 MolecularWeight: 375.37584

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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)/t11-/m0/s1