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

Systemtic Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3/c1-14-21-19(11-10-16-8-5-9-17(12-16)23(25)26)18(20(24)22-14)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,22,24)/b11-10+