3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile CAS Name: 3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)-1-pyrazolyl]benzonitrile IUPAC Name: 3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile Traditional Name: 3-[5-(bromomethyl)-4-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile Formula: C13H9BrF3N3O MolecularWeight: 360.12927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)CBr

Isomeric SMILES

COC1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)CBr

InChI

InChI=1S/C13H9BrF3N3O/c1-21-11-10(6-14)20(19-12(11)13(15,16)17)9-4-2-3-8(5-9)7-18/h2-5H,6H2,1H3