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

Systemtic Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-2-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-5-[(4-hydroxy-3-nitro-phenyl)methyl]-2-methyl-1H-pyrimidin-4-one CAS Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-4-one IUPAC Name: 6-[(E)-2-(4-dimethylaminophenyl)ethenyl]-5-[(4-hydroxy-3-nitrophenyl)methyl]-2-methyl-1H-pyrimidin-4-one Traditional Name: 6-[(E)-2-(4-dimethylaminophenyl)vinyl]-5-(4-hydroxy-3-nitro-benzyl)-2-methyl-1H-pyrimidin-4-one Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H22N4O4/c1-14-23-19(10-6-15-4-8-17(9-5-15)25(2)3)18(22(28)24-14)12-16-7-11-21(27)20(13-16)26(29)30/h4-11,13,27H,12H2,1-3H3,(H,23,24,28)/b10-6+