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

Systemtic Name: 2-[(E)-2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-[3-ethoxy-4-(2-fluorobenzyl)oxy-phenyl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C21H17FN3O6- MolecularWeight: 426.374583

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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=CC=C3F

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-])OCC3=CC=CC=C3F

InChI

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