(phenylmethyl) (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: (phenylmethyl) (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]ethanoate Openeye Name: benzyl (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]acetate CAS Name: (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]acetate Traditional Name: (2R)-2-cyano-2-[2-nitro-5-(trifluoromethyl)phenyl]acetic acid benzyl ester Formula: C17H11F3N2O4 MolecularWeight: 364.27545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@@H](C#N)C2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H11F3N2O4/c18-17(19,20)12-6-7-15(22(24)25)13(8-12)14(9-21)16(23)26-10-11-4-2-1-3-5-11/h1-8,14H,10H2/t14-/m0/s1