methyl 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoate

Systemtic Name: methyl 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoate Openeye Name: methyl 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoate CAS Name: 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-isocyano-3-[4-(trifluoromethyl)phenyl]propanoate Traditional Name: 3-isocyano-3-[4-(trifluoromethyl)phenyl]propionic acid methyl ester Formula: C12H10F3NO2 MolecularWeight: 257.20851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F3NO2/c1-16-10(7-11(17)18-2)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,7H2,2H3