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

Systemtic Name: 2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 5-[(4-hydroxy-3-nitro-phenyl)methyl]-2-methyl-6-[(E)-2-(p-tolyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-6-[(E)-2-(4-methylphenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-(4-hydroxy-3-nitro-benzyl)-2-methyl-6-[(E)-2-(p-tolyl)vinyl]-1H-pyrimidin-4-one Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=C(C(=O)N=C(N2)C)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=C(C(=O)N=C(N2)C)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4/c1-13-3-5-15(6-4-13)7-9-18-17(21(26)23-14(2)22-18)11-16-8-10-20(25)19(12-16)24(27)28/h3-10,12,25H,11H2,1-2H3,(H,22,23,26)/b9-7+