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

Systemtic Name: 2-[(E)-2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[3-ethoxy-4-(m-tolylmethoxy)phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[3-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[3-ethoxy-4-(3-methylbenzyl)oxy-phenyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C22H21N3O6 MolecularWeight: 423.41864

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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(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-3-30-18-12-15(7-9-17(18)31-13-16-6-4-5-14(2)11-16)8-10-19-23-21(26)20(25(28)29)22(27)24-19/h4-12H,3,13H2,1-2H3,(H2,23,24,26,27)/b10-8+