2-nitro-2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-nitro-2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[3-benzyloxy-4-(trifluoromethyl)phenyl]-2-nitro-acetonitrile CAS Name: 2-nitro-2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-nitro-2-[3-phenylmethoxy-4-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[3-benzoxy-4-(trifluoromethyl)phenyl]-2-nitro-acetonitrile Formula: C16H11F3N2O3 MolecularWeight: 336.26535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(C#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(C#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N2O3/c17-16(18,19)13-7-6-12(14(9-20)21(22)23)8-15(13)24-10-11-4-2-1-3-5-11/h1-8,14H,10H2