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

Systemtic Name: 2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C20H17N3O6 MolecularWeight: 395.36548

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-28-16-11-13(7-9-15(16)29-12-14-5-3-2-4-6-14)8-10-17-21-19(24)18(23(26)27)20(25)22-17/h2-11H,12H2,1H3,(H2,21,22,24,25)/b10-8+