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

Systemtic Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-5-pentyl-1H-pyrimidin-4-one Openeye Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)vinyl]-5-pentyl-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-5-pentyl-1H-pyrimidin-4-one IUPAC Name: 2-methyl-6-[(E)-2-(3-nitrophenyl)ethenyl]-5-pentyl-1H-pyrimidin-4-one Traditional Name: 5-amyl-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:

CCCCCC1=C(NC(=NC1=O)C)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)C)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3/c1-3-4-5-9-16-17(19-13(2)20-18(16)22)11-10-14-7-6-8-15(12-14)21(23)24/h6-8,10-12H,3-5,9H2,1-2H3,(H,19,20,22)/b11-10+