2-[5-chloranyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-7-yl]ethanenitrile

Systemtic Name: 2-[5-chloranyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-7-yl]ethanenitrile Openeye Name: 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-7-yl]acetonitrile CAS Name: 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-7-yl]acetonitrile IUPAC Name: 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazol-7-yl]acetonitrile Traditional Name: 2-[5-chloro-3-[4-(trifluoromethyl)phenyl]anthranil-7-yl]acetonitrile Formula: C16H8ClF3N2O MolecularWeight: 336.69573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=C(C=C(C3=NO2)CC#N)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=C(C=C(C3=NO2)CC#N)Cl)C(F)(F)F

InChI

InChI=1S/C16H8ClF3N2O/c17-12-7-10(5-6-21)14-13(8-12)15(23-22-14)9-1-3-11(4-2-9)16(18,19)20/h1-4,7-8H,5H2