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

Systemtic Name: 5-(2-methylpropyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Openeye Name: 5-isobutyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one CAS Name: 5-(2-methylpropyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one IUPAC Name: 5-(2-methylpropyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-1H-pyrimidin-4-one Traditional Name: 5-isobutyl-6-[(E)-2-(4-nitrophenyl)vinyl]-1H-pyrimidin-4-one Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NC=NC1=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=C(NC=NC1=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c1-11(2)9-14-15(17-10-18-16(14)20)8-5-12-3-6-13(7-4-12)19(21)22/h3-8,10-11H,9H2,1-2H3,(H,17,18,20)/b8-5+