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

Systemtic Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H16ClN3O6 MolecularWeight: 429.81054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O6/c1-29-16-10-12(4-8-15(16)30-11-13-2-6-14(21)7-3-13)5-9-17-22-19(25)18(24(27)28)20(26)23-17/h2-10H,11H2,1H3,(H2,22,23,25,26)/b9-5+