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

Systemtic Name: 2-methyl-5-(2-methylprop-2-enyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-5-(2-methylallyl)-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(2-methylprop-2-enyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(2-methylprop-2-enyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-5-(2-methylallyl)-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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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-])CC(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c1-11(2)10-15-16(18-12(3)19-17(15)21)9-6-13-4-7-14(8-5-13)20(22)23/h4-9H,1,10H2,2-3H3,(H,18,19,21)/b9-6+