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

Systemtic Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isopentyl-2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-5-(3-methylbutyl)-6-[(E)-2-(3-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isoamyl-2-methyl-6-[(E)-2-(3-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(=CC=C2)[N+](=O)[O-])CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-12(2)7-9-16-17(19-13(3)20-18(16)22)10-8-14-5-4-6-15(11-14)21(23)24/h4-6,8,10-12H,7,9H2,1-3H3,(H,19,20,22)/b10-8+