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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2-methoxy-5-nitro-benzyl)-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C21H18N4O6 MolecularWeight: 422.39082

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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=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O6/c1-13-22-19(9-5-14-3-6-16(7-4-14)24(27)28)18(21(26)23-13)12-15-11-17(25(29)30)8-10-20(15)31-2/h3-11H,12H2,1-2H3,(H,22,23,26)/b9-5+