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

Systemtic Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-hydroxy-3-nitro-phenyl)methyl]-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-hydroxy-3-nitro-benzyl)-6-[(E)-2-(4-hydroxyphenyl)vinyl]-2-methyl-1H-pyrimidin-4-one Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5/c1-12-21-17(8-4-13-2-6-15(24)7-3-13)16(20(26)22-12)10-14-5-9-19(25)18(11-14)23(27)28/h2-9,11,24-25H,10H2,1H3,(H,21,22,26)/b8-4+