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

Systemtic Name: 2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-hydroxy-3-nitro-phenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-hydroxy-3-nitro-benzyl)-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H16N4O6/c1-12-21-17(8-4-13-2-6-15(7-3-13)23(27)28)16(20(26)22-12)10-14-5-9-19(25)18(11-14)24(29)30/h2-9,11,25H,10H2,1H3,(H,21,22,26)/b8-4+