methyl 2-[2-fluoranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-isocyanato-ethanoate

Systemtic Name: methyl 2-[2-fluoranyl-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-isocyanato-ethanoate Openeye Name: methyl 2-[2-fluoro-6-methoxy-5-(trifluoromethyl)-1-naphthyl]-2-isocyanato-acetate CAS Name: 2-[2-fluoro-6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]-2-isocyanatoacetic acid methyl ester IUPAC Name: methyl 2-[2-fluoro-6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-2-isocyanatoacetate Traditional Name: 2-[2-fluoro-6-methoxy-5-(trifluoromethyl)-1-naphthyl]-2-isocyanato-acetic acid methyl ester Formula: C16H11F4NO4 MolecularWeight: 357.256453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(C=C2)F)C(C(=O)OC)N=C=O)C(F)(F)F

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(C=C2)F)C(C(=O)OC)N=C=O)C(F)(F)F

InChI

InChI=1S/C16H11F4NO4/c1-24-11-6-4-8-9(13(11)16(18,19)20)3-5-10(17)12(8)14(21-7-22)15(23)25-2/h3-6,14H,1-2H3