5-[(2,5-dimethylphenyl)methyl]-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(2,5-dimethylbenzyl)-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(NC=NC2=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(NC=NC2=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3/c1-14-3-4-15(2)17(11-14)12-19-20(22-13-23-21(19)25)10-7-16-5-8-18(9-6-16)24(26)27/h3-11,13H,12H2,1-2H3,(H,22,23,25)/b10-7+