2-[2-nitro-5-phenylmethoxy-4-(trifluoromethyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-nitro-5-phenylmethoxy-4-(trifluoromethyl)phenyl]ethanenitrile Openeye Name: 2-[5-benzyloxy-2-nitro-4-(trifluoromethyl)phenyl]acetonitrile CAS Name: 2-[2-nitro-5-phenylmethoxy-4-(trifluoromethyl)phenyl]acetonitrile IUPAC Name: 2-[2-nitro-5-phenylmethoxy-4-(trifluoromethyl)phenyl]acetonitrile Traditional Name: 2-[5-benzoxy-2-nitro-4-(trifluoromethyl)phenyl]acetonitrile Formula: C16H11F3N2O3 MolecularWeight: 336.26535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])CC#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])CC#N

InChI

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