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

Systemtic Name: 5-nitro-4-oxidanyl-2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-5-nitro-2-[(E)-2-(3-phenoxyphenyl)vinyl]-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-nitro-2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-nitro-2-[(E)-2-(3-phenoxyphenyl)ethenyl]-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-5-nitro-2-[(E)-2-(3-phenoxyphenyl)vinyl]-1H-pyrimidin-6-one Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C18H13N3O5/c22-17-16(21(24)25)18(23)20-15(19-17)10-9-12-5-4-8-14(11-12)26-13-6-2-1-3-7-13/h1-11H,(H2,19,20,22,23)/b10-9+