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

Systemtic Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-methyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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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-])CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-12(2)4-10-16-17(19-13(3)20-18(16)22)11-7-14-5-8-15(9-6-14)21(23)24/h5-9,11-12H,4,10H2,1-3H3,(H,19,20,22)/b11-7+