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

Systemtic Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isobutyl-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(2-methylpropyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isobutyl-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-11(2)9-15-16(18-12(3)19-17(15)21)8-7-13-5-4-6-14(10-13)20(22)23/h4-8,10-11H,9H2,1-3H3,(H,18,19,21)/b8-7+