2-[(E)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[3-ethoxy-4-(4-fluorobenzyl)oxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C21H18FN3O6 MolecularWeight: 427.382523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FN3O6/c1-2-30-17-11-13(5-9-16(17)31-12-14-3-7-15(22)8-4-14)6-10-18-23-20(26)19(25(28)29)21(27)24-18/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b10-6+