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

Systemtic Name: 2-[(E)-2-(3-chloranyl-5-ethoxy-4-phenylmethoxy-phenyl)ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-(4-benzyloxy-3-chloro-5-ethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-(4-benzoxy-3-chloro-5-ethoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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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)Cl)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O6/c1-2-30-16-11-14(8-9-17-23-20(26)18(25(28)29)21(27)24-17)10-15(22)19(16)31-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b9-8+