6-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-2-(3-nitrophenyl)-1-oxidanidyl-pyrimidin-1-ium

Systemtic Name: 6-[(E)-2-(3-bromanyl-4-fluoranyl-phenyl)ethenyl]-2-(3-nitrophenyl)-1-oxidanidyl-pyrimidin-1-ium Openeye Name: 6-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-2-(3-nitrophenyl)-1-oxido-pyrimidin-1-ium CAS Name: 6-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-2-(3-nitrophenyl)-1-oxidopyrimidin-1-ium IUPAC Name: 6-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]-2-(3-nitrophenyl)-1-oxidopyrimidin-1-ium Traditional Name: 6-[(E)-2-(3-bromo-4-fluoro-phenyl)vinyl]-2-(3-nitrophenyl)-1-oxido-pyrimidin-1-ium Formula: C18H11BrFN3O3 MolecularWeight: 416.200643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CC(=[N+]2[O-])C=CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=CC(=[N+]2[O-])/C=C/C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C18H11BrFN3O3/c19-16-10-12(5-7-17(16)20)4-6-14-8-9-21-18(22(14)24)13-2-1-3-15(11-13)23(25)26/h1-11H/b6-4+